| SpectraBase Compound ID | IZedihmwD3Y |
|---|---|
| InChI | InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9) |
| InChIKey | RSFDFESMVAIVKO-UHFFFAOYSA-N |
| Mol Weight | 154.18 g/mol |
| Molecular Formula | C7H6O2S |
| Exact Mass | 154.008851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | BxCRYK1KlVi |
|---|---|
| Name | 3-Mercaptobenzoic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 451436 |
| CAS Registry Number | 4869-59-4 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6O2S |
| InChI | InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9) |
| InChIKey | RSFDFESMVAIVKO-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 95% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_009932 |