3-(phenylthio)propionic acid, methyl ester
Compound with spectra: 5 NMR, 1 FTIR, and 5 MS (GC)
| SpectraBase Compound ID | 5kxP9C0HMuQ |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | QWFLXSYICHFNBN-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S61437 |
| Technique | CAPILLARY CELL: NEAT |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | O-13-198-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | H-85-3277-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | H-85-3277-3a |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CN103804249A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | J-57-4704-0 |
- QWFLXSYICHFNBN-UHFFFAOYSA-N
- 4-PHENYL-4-THIA-METHYLBUTYROATE
- PROPIONIC ACID, 3-/PHENYLTHIO/-, METHYL ESTER
- Propanoic acid, 3-(phenylthio)-, methyl ester
- Methyl 3-(Phenylsulfanyl)propanoate
- methyl 3-(phenylmercapto)propionate
| Title | Journal or Book | Year |
|---|---|---|
| 13C NMR of thia- or aza-substituted butyric acid derivatives | Magnetic Resonance in Chemistry | 2001 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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