| SpectraBase Compound ID | 5zQhPvHUH7w |
|---|---|
| InChI | InChI=1S/C15H20O3S/c1-11(16)18-12-9-14(15(2,3)17-10-12)19-13-7-5-4-6-8-13/h4-8,12,14H,9-10H2,1-3H3/t12-,14-/m1/s1 |
| InChIKey | GSIMDGNANMVMTR-TZMCWYRMSA-N |
| Mol Weight | 280.38 g/mol |
| Molecular Formula | C15H20O3S |
| Exact Mass | 280.113316 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FnMmxWoh3LC |
|---|---|
| Name | (3R,5R)-2,2-Dimethyl-3-phenylsulfanyltetrahydropyran-5-yl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3S |
| InChI | InChI=1S/C15H20O3S/c1-11(16)18-12-9-14(15(2,3)17-10-12)19-13-7-5-4-6-8-13/h4-8,12,14H,9-10H2,1-3H3/t12-,14-/m1/s1 |
| InChIKey | GSIMDGNANMVMTR-TZMCWYRMSA-N |
| Molecular Weight | 280.382 g/mol |
| SMILES | [C@]1(C(OC[C@@](C1)(OC(=O)C)[H])(C)C)(Sc1ccccc1)[H] |
| SPLASH | splash10-001i-0390000000-b9c0b39f0ead83419323 |
| Source of Spectrum | K-2002-2650-10 |
| Synonyms | (3R,5R)-6,6-dimethyl-5-(phenylsulfanyl)oxan-3-yl acetate (3RS,5RS)-2,2-Dimethyl-3-phenylsulfanyltetrahydropyran-5-yl ethanoate Acetic acid[(3R,5R)-6,6-dimethyl-5-(phenylthio)-3-oxanyl]ester Acetic acid[(3R,5R)-6,6-dimethyl-5-(phenylthio)tetrahydropyran-3-yl]ester [(3R,5R)-6,6-dimethyl-5-phenylsulfanyl-oxan-3-yl]ethanoate [(3R,5R)-6,6-dimethyl-5-phenylsulfanyl-tetrahydropyran-3-yl]acetate Acetic acid [(3R,5R)-6,6-dimethyl-5-(phenylthio)-3-oxanyl] ester [(3R,5R)-6,6-dimethyl-5-phenylsulfanyloxan-3-yl] acetate [(3R,5R)-6,6-dimethyl-5-phenylsulfanyl-tetrahydropyran-3-yl] acetate [(3R,5R)-6,6-dimethyl-5-phenylsulfanyl-oxan-3-yl] ethanoate |
| Wiley ID | 1613245 |