| SpectraBase Compound ID | BjVXfEIoaOI |
|---|---|
| InChI | InChI=1S/C8H8O2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H,9,10) |
| InChIKey | ASCWVQXSKGOWHV-UHFFFAOYSA-N |
| Mol Weight | 168.21 g/mol |
| Molecular Formula | C8H8O2S |
| Exact Mass | 168.024501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ZUvNVRdYZB |
|---|---|
| Name | 3-(Mercaptomethyl)benzoic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8O2S |
| InChI | InChI=1S/C8H8O2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H,9,10) |
| InChIKey | ASCWVQXSKGOWHV-UHFFFAOYSA-N |
| Molecular Weight | 168.210 g/mol |
| SMILES | SCc1cc(C(=O)O)ccc1 |
| SPLASH | splash10-000i-1900000000-49ff4ce947f7cd09ef61 |
| Source of Spectrum | J-58-6376-5 |
| Wiley ID | 1164065 |