| SpectraBase Compound ID | HWxIRNok0CX |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChIKey | RRJPZQISWROTFP-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KxQBKTL8hdc |
|---|---|
| Name | 3-(Phenylthio)butyric acid |
| Alternate Name(s) | 3-(Phenylthio)butanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChIKey | RRJPZQISWROTFP-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | OC(CC(C)Sc1ccccc1)=O |
| SPLASH | splash10-01ot-2900000000-ffb14fb9328d1fc3dfab |
| Source of Spectrum | SO-0-84-2 |
| Wiley ID | 1542875 |