| SpectraBase Compound ID | 2w9xVWLTELC |
|---|---|
| InChI | InChI=1S/C14H18OS2/c1-3-9-17-14(16)10-13(15)11(2)12-7-5-4-6-8-12/h3-8,11,13,15H,1,9-10H2,2H3/t11-,13-/m1/s1 |
| InChIKey | JUKAQASQCXNLFH-DGCLKSJQSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C14H18OS2 |
| Exact Mass | 266.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkxpVnagFZ8 |
|---|---|
| Name | (3R,4R)-3-Hydroxy-4-phenyl-pentanedithioic acid allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.079907547 u |
| Formula | C14H18OS2 |
| InChI | InChI=1S/C14H18OS2/c1-3-9-17-14(16)10-13(15)11(2)12-7-5-4-6-8-12/h3-8,11,13,15H,1,9-10H2,2H3/t11-,13-/m1/s1 |
| InChIKey | JUKAQASQCXNLFH-DGCLKSJQSA-N |
| SMILES | C(C(=S)SCC=C)[C@]([C@@](C=1C=CC=CC1)(C)[H])(O)[H] |