| SpectraBase Compound ID | Cb6Hrt5JEZ3 |
|---|---|
| InChI | InChI=1S/C15H14O2S/c1-11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)15(16)17-2/h3-10H,1-2H3 |
| InChIKey | DZMQIQJSPZEMFH-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUhGw812GtG |
|---|---|
| Name | Methyl 2-(m-tolylsulfanyl)-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c1-11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)15(16)17-2/h3-10H,1-2H3 |
| InChIKey | DZMQIQJSPZEMFH-UHFFFAOYSA-N |
| SMILES | C=1(C(SC=2C=C(C)C=CC2)=CC=CC1)C(=O)OC |