| SpectraBase Compound ID | JCnvz2xd4Ur |
|---|---|
| InChI | InChI=1S/C14H12O2S/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | MACQTAIPPIPIPH-UHFFFAOYSA-N |
| Mol Weight | 244.31 g/mol |
| Molecular Formula | C14H12O2S |
| Exact Mass | 244.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PSNwFU7njC |
|---|---|
| Name | 2-(m-Tolylsulfanyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.055800798 u |
| Formula | C14H12O2S |
| InChI | InChI=1S/C14H12O2S/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | MACQTAIPPIPIPH-UHFFFAOYSA-N |
| Molecular Weight | 244.308 g/mol |
| SMILES | C=1(C(SC=2C=C(C)C=CC2)=CC=CC1)C(=O)O |