| SpectraBase Compound ID | 4uP6Df8BUtP |
|---|---|
| InChI | InChI=1S/C14H12O3S/c15-11-5-4-6-12(9-11)17-14(16)10-18-13-7-2-1-3-8-13/h1-9,15H,10H2 |
| InChIKey | URLMUUDXCRATMG-UHFFFAOYSA-N |
| Mol Weight | 260.31 g/mol |
| Molecular Formula | C14H12O3S |
| Exact Mass | 260.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bw1ApJfQLrb |
|---|---|
| Name | 1,3-Benzenediol, o-phenylthioacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.050715417 u |
| Formula | C14H12O3S |
| InChI | InChI=1S/C14H12O3S/c15-11-5-4-6-12(9-11)17-14(16)10-18-13-7-2-1-3-8-13/h1-9,15H,10H2 |
| InChIKey | URLMUUDXCRATMG-UHFFFAOYSA-N |
| Molecular Weight | 260.307 g/mol |
| SMILES | C1=C(C=CC=C1O)OC(=O)CSC1=CC=CC=C1 |