| SpectraBase Compound ID | L7ENDDWDIBr |
|---|---|
| InChI | InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Mol Weight | 142.17 g/mol |
| Molecular Formula | C6H6O2S |
| Exact Mass | 142.008851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7SmeV7ZSHXG |
|---|---|
| Name | 3-THIOPHENEACETIC ACID |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 6964-21-2 |
| Comments | Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6O2S |
| InChI | InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Melting Point | 75-76C |
| Molecular Weight | 142.18 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |