| SpectraBase Spectrum ID |
6i568YbQw3W |
| Name |
(2S,3S,4R)-2-methyl-4-(phenylthio)heptane-1,3-diol |
| Alternate Name(s) |
(2S,3S,4R)-2-methyl-4-phenylsulfanyl-heptane-1,3-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O2S |
| InChI |
InChI=1S/C14H22O2S/c1-3-7-13(14(16)11(2)10-15)17-12-8-5-4-6-9-12/h4-6,8-9,11,13-16H,3,7,10H2,1-2H3/t11-,13+,14-/m0/s1 |
| InChIKey |
VNLWLBWXBQWJDK-YUTCNCBUSA-N |
| Molecular Weight |
254.388 g/mol |
| SMILES |
OC[C@@]([C@@]([C@](Sc1ccccc1)(CCC)[H])(O)[H])(C)[H] |
| SPLASH |
splash10-066r-2930000000-e81d474a851e94ae853e |
| Source of Spectrum |
KC-0-1938-12 |
| Wiley ID |
786275 |
