| SpectraBase Compound ID | 3RKC0dCtbXn |
|---|---|
| InChI | InChI=1S/C18H20O2S/c1-14(16-9-5-3-6-10-16)18(20-15(2)19)13-21-17-11-7-4-8-12-17/h3-12,14,18H,13H2,1-2H3/t14-,18+/m1/s1 |
| InChIKey | UMXPTADHFSPFKU-KDOFPFPSSA-N |
| Mol Weight | 300.42 g/mol |
| Molecular Formula | C18H20O2S |
| Exact Mass | 300.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPL1b21braJ |
|---|---|
| Name | (2R*,3R*)-3-Phenyl-1-phenylthio-2-butanol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.118401056 u |
| Formula | C18H20O2S |
| InChI | InChI=1S/C18H20O2S/c1-14(16-9-5-3-6-10-16)18(20-15(2)19)13-21-17-11-7-4-8-12-17/h3-12,14,18H,13H2,1-2H3/t14-,18+/m1/s1 |
| InChIKey | UMXPTADHFSPFKU-KDOFPFPSSA-N |
| SMILES | [C@](OC(=O)C)([C@@](C=1C=CC=CC1)(C)[H])(CSC=1C=CC=CC1)[H] |