| SpectraBase Compound ID | 2nw0RHoDowS |
|---|---|
| InChI | InChI=1S/C14H20O2S/c15-11-8-13(16)14(9-4-5-10-14)17-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2 |
| InChIKey | BEZLXCDUIRJOMO-UHFFFAOYSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DO67UwaozFr |
|---|---|
| Name | 1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c15-11-8-13(16)14(9-4-5-10-14)17-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2 |
| InChIKey | BEZLXCDUIRJOMO-UHFFFAOYSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | C(CC(O)C1(CCCC1)SC=1C=CC=CC1)O |