![3-[2-(2-Sulfanylphenoxy)phenyl]-3-pentanol](/api/spectrum/15vNRJVe3Kb/structure.png?h=300&w=458 "3-[2-(2-Sulfanylphenoxy)phenyl]-3-pentanol")
| SpectraBase Compound ID | Hy8lr9v4PkN |
|---|---|
| InChI | InChI=1S/C17H20O2S/c1-3-17(18,4-2)13-9-5-6-10-14(13)19-15-11-7-8-12-16(15)20/h5-12,18,20H,3-4H2,1-2H3 |
| InChIKey | BFGTZJDMFZDYPC-UHFFFAOYSA-N |
| Mol Weight | 288.4 g/mol |
| Molecular Formula | C17H20O2S |
| Exact Mass | 288.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15vNRJVe3Kb |
|---|---|
| Name | 3-[2-(2-Sulfanylphenoxy)phenyl]-3-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.118401056 u |
| Formula | C17H20O2S |
| InChI | InChI=1S/C17H20O2S/c1-3-17(18,4-2)13-9-5-6-10-14(13)19-15-11-7-8-12-16(15)20/h5-12,18,20H,3-4H2,1-2H3 |
| InChIKey | BFGTZJDMFZDYPC-UHFFFAOYSA-N |
| SMILES | C=1(C(OC=2C(S)=CC=CC2)=CC=CC1)C(O)(CC)CC |