| SpectraBase Compound ID | 5WoILUxsrDG |
|---|---|
| InChI | InChI=1S/C15H12O2S/c16-14(12-7-3-1-4-8-12)11-17-15(18)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | SOAXDLYUASYPOU-UHFFFAOYSA-N |
| Mol Weight | 256.32 g/mol |
| Molecular Formula | C15H12O2S |
| Exact Mass | 256.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6x1pSWoZw2X |
|---|---|
| Name | Benzoylmethyl thiobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.055800798 u |
| Formula | C15H12O2S |
| InChI | InChI=1S/C15H12O2S/c16-14(12-7-3-1-4-8-12)11-17-15(18)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | SOAXDLYUASYPOU-UHFFFAOYSA-N |
| Molecular Weight | 256.319 g/mol |
| SMILES | C(OCC(=O)C1=CC=CC=C1)(=S)C=1C=CC=CC1 |