| SpectraBase Compound ID | 5H7fE3Q7zmL |
|---|---|
| InChI | InChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | IGPROYLOGZTOAM-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 92xHyR1HoO9 |
|---|---|
| Name | PROPANOIC ACID, 3-(PHENYLTHIO)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | IGPROYLOGZTOAM-UHFFFAOYSA-N |
| Molecular Weight | 182.0399 |
| SMILES | OC(=O)CCSc1ccccc1 |
| SPLASH | splash10-02na-9600000000-a6a5a4788c691149f862 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |