![3-Phenyl-1-[2-(2-sulfanylphenoxy)phenyl]-1-propanol](/api/spectrum/5flRQgoeJRl/structure.png?h=300&w=458 "3-Phenyl-1-[2-(2-sulfanylphenoxy)phenyl]-1-propanol")
| SpectraBase Compound ID | 97GTpQnpyDc |
|---|---|
| InChI | InChI=1S/C21H20O2S/c22-18(15-14-16-8-2-1-3-9-16)17-10-4-5-11-19(17)23-20-12-6-7-13-21(20)24/h1-13,18,22,24H,14-15H2 |
| InChIKey | QVPHPTBADZTSOD-UHFFFAOYSA-N |
| Mol Weight | 336.45 g/mol |
| Molecular Formula | C21H20O2S |
| Exact Mass | 336.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5flRQgoeJRl |
|---|---|
| Name | 3-Phenyl-1-[2-(2-sulfanylphenoxy)phenyl]-1-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.118401056 u |
| Formula | C21H20O2S |
| InChI | InChI=1S/C21H20O2S/c22-18(15-14-16-8-2-1-3-9-16)17-10-4-5-11-19(17)23-20-12-6-7-13-21(20)24/h1-13,18,22,24H,14-15H2 |
| InChIKey | QVPHPTBADZTSOD-UHFFFAOYSA-N |
| Molecular Weight | 336.449 g/mol |
| SMILES | C=1(C(C(CCC=2C=CC=CC2)O)=CC=CC1)OC=1C(S)=CC=CC1 |