| SpectraBase Compound ID | Fbg5Y8fhvxq |
|---|---|
| InChI | InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9) |
| InChIKey | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
| Mol Weight | 154.18 g/mol |
| Molecular Formula | C7H6O2S |
| Exact Mass | 154.008851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AXqWHoE5Xk3 |
|---|---|
| Name | p-mercaptobenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6O2S |
| InChI | InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9) |
| InChIKey | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
| Instrument Name | GCMS-QP2010 SE |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/anie.202104911 |
| SMILES | OC(c1ccc(cc1)S)=O |
| SPLASH | splash10-0bti-5900000000-848e0395eaabb5a5e5cf |
| Source of Spectrum | ACI-60-SM14-Figure S6b |
| Wiley ID | 1882668 |