Spectroscopy Unknown. The spectra and data provided were obtained from a pure organic molecule. For ¹H NMR Spectra, the integral is given in number of hydrogens (#H) or as a relative ratio. Important coupling constants (J-values) are listed next to the peaks for some examples. For some spectra, an inset (grey box) is also given showing a "zoom-in" on an important part of the spectrum. Mass Spectrum (not shown): [M] = 177 (100%) m/z IR Spectrum (not shown): 3200 (sh m), 3060, 2981, 1685, 1600, 1495 cm¹¹ (all listed are strong (s) unless otherwise indicated) ¹H NMR Spectrum (400 MHz, CDCl3, 25 °C) br s 180 10 1H (C) 8 13C NMR Spectrum, proton-decoupled (125 MHz, CDCI3, 25 °C) 160 2H 2H (CH) (C) (C) 140 (CH) PPM 120 100 PPM 80 60 E 2 1H 3H (CH3) (CH) 40 6H (CH3) 20
Spectroscopy Unknown. The spectra and data provided were obtained from a pure organic molecule. For ¹H NMR Spectra, the integral is given in number of hydrogens (#H) or as a relative ratio. Important coupling constants (J-values) are listed next to the peaks for some examples. For some spectra, an inset (grey box) is also given showing a "zoom-in" on an important part of the spectrum. Mass Spectrum (not shown): [M] = 177 (100%) m/z IR Spectrum (not shown): 3200 (sh m), 3060, 2981, 1685, 1600, 1495 cm¹¹ (all listed are strong (s) unless otherwise indicated) ¹H NMR Spectrum (400 MHz, CDCl3, 25 °C) br s 180 10 1H (C) 8 13C NMR Spectrum, proton-decoupled (125 MHz, CDCI3, 25 °C) 160 2H 2H (CH) (C) (C) 140 (CH) PPM 120 100 PPM 80 60 E 2 1H 3H (CH3) (CH) 40 6H (CH3) 20
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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![## Spectroscopy Data Analysis
### Overview
The spectra and data are derived from a pure organic molecule. It includes NMR spectrometry data providing information about the hydrogen and carbon environments within the molecule. The coupling constants (\# values) are also noted where significant.
### Mass Spectrum
- **Molecular Ion (not shown)**: \[M\] = 177 (100% m/z)
### Infrared (IR) Spectrum (Not Displayed)
Key infrared absorption bands (all listed are strong (s) unless indicated otherwise):
- 3200 (sh m), 3060, 2981, 1685, 1600, 1495 cm\(^{-1}\)
### \( ^1H \) NMR Spectrum (400 MHz, CDCl\(_3\), 25 °C)
#### Graph Description
- **Chemical Shifts and Splitting Patterns**:
- **10 PPM**: Broad singlet (br s)
- **8-7.2 PPM**: Doublet (d)
- **3-4 PPM**: Multiplet (m)
- **2-0.9 PPM**: Singlet (s), Doublet (d)
- **Integration**:
- Peaks are integrated indicating the number of hydrogens:
- 1H, 2H, 3H, 6H adjacent to peaks correlate to the relative number of hydrogen atoms contributing to that signal.
### \( ^{13}C \) NMR Spectrum, Proton-Decoupled (125 MHz, CDCl\(_3\), 25 °C)
#### Graph Description
- **Chemical Shifts**:
- **160-140 PPM**: Peaks representing carbon environments typically associated with (C)
- **120-110 PPM**: Peaks representing carbon environments associated with (CH)
- **50-15 PPM**: Peaks for (CH\(_3\), CH) suggesting alkyl groups or similar environments
### Interpretation
The data provides insight into the molecular structure through the identification of specific groups and functional identities within the organic molecule.](/v2/_next/image?url=https%3A%2F%2Fcontent.bartleby.com%2Fqna-images%2Fquestion%2F56b89a6c-6ca3-4f25-9a44-1409c69966fc%2F5131287c-2f89-46d4-a8ff-6cce2fd78971%2Fn9av61_processed.png&w=3840&q=75)
Transcribed Image Text:## Spectroscopy Data Analysis
### Overview
The spectra and data are derived from a pure organic molecule. It includes NMR spectrometry data providing information about the hydrogen and carbon environments within the molecule. The coupling constants (\# values) are also noted where significant.
### Mass Spectrum
- **Molecular Ion (not shown)**: \[M\] = 177 (100% m/z)
### Infrared (IR) Spectrum (Not Displayed)
Key infrared absorption bands (all listed are strong (s) unless indicated otherwise):
- 3200 (sh m), 3060, 2981, 1685, 1600, 1495 cm\(^{-1}\)
### \( ^1H \) NMR Spectrum (400 MHz, CDCl\(_3\), 25 °C)
#### Graph Description
- **Chemical Shifts and Splitting Patterns**:
- **10 PPM**: Broad singlet (br s)
- **8-7.2 PPM**: Doublet (d)
- **3-4 PPM**: Multiplet (m)
- **2-0.9 PPM**: Singlet (s), Doublet (d)
- **Integration**:
- Peaks are integrated indicating the number of hydrogens:
- 1H, 2H, 3H, 6H adjacent to peaks correlate to the relative number of hydrogen atoms contributing to that signal.
### \( ^{13}C \) NMR Spectrum, Proton-Decoupled (125 MHz, CDCl\(_3\), 25 °C)
#### Graph Description
- **Chemical Shifts**:
- **160-140 PPM**: Peaks representing carbon environments typically associated with (C)
- **120-110 PPM**: Peaks representing carbon environments associated with (CH)
- **50-15 PPM**: Peaks for (CH\(_3\), CH) suggesting alkyl groups or similar environments
### Interpretation
The data provides insight into the molecular structure through the identification of specific groups and functional identities within the organic molecule.
Expert Solution
Step 1: Introduction to various spectral analysis
There are various types of spectra which help to find the unknown structure of a compound.
IR helps us to find the functional group present in that compound.
Mass spectra helps us to get idea about the mass of major fragments and the molar mass of the compound
Proton and carbon-13 NMR shows different peaks for different types of protons and carbons present respectively in that compound.
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