| SpectraBase Spectrum ID |
9YDa7DkUEt9 |
| Name |
(3R*,4S*)-3-Phenylthiomethyl-4-heptanol acetate |
| Alternate Name(s) |
(1S,2R)-2-[(phenylsulfanyl)methyl]-1-propylbutyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O2S |
| InChI |
InChI=1S/C16H24O2S/c1-4-9-16(18-13(3)17)14(5-2)12-19-15-10-7-6-8-11-15/h6-8,10-11,14,16H,4-5,9,12H2,1-3H3/t14-,16-/m0/s1 |
| InChIKey |
XJWTZXHVYKMUGY-HOCLYGCPSA-N |
| Molecular Weight |
280.426 g/mol |
| SMILES |
C(O[C@]([C@](CSc1ccccc1)(CC)[H])(CCC)[H])(=O)C |
| SPLASH |
splash10-0300-9660000000-4193fec9c273121eb5d6 |
| Source of Spectrum |
AJ-69-2103-8 |
| Wiley ID |
773850 |
