| SpectraBase Compound ID | 4152714BXIX |
|---|---|
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| Mol Weight | 128.14 g/mol |
| Molecular Formula | C5H4O2S |
| Exact Mass | 127.993201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2r13Mo0VIE4 |
|---|---|
| Name | 3-THIOPHENECARBOXYLIC ACID |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 88-13-1 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H4O2S |
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| Melting Point | 136-138C |
| Molecular Weight | 128.15 |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |