| SpectraBase Compound ID | I9oZ377QZZA |
|---|---|
| InChI | InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C13H12OS |
| Exact Mass | 216.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHZ5vO2i8Uo |
|---|---|
| Name | 4-(Phenylthio)benzenemethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.060886179 u |
| Formula | C13H12OS |
| InChI | InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
| Molecular Weight | 216.298 g/mol |
| SMILES | C1(SC2=CC=CC=C2)=CC=C(C=C1)CO |