| SpectraBase Spectrum ID |
1CfZHtd7VA |
| Name |
(3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)heptan-2-ol |
| Alternate Name(s) |
2,4-Dimethyl-3,5,5-tris(phenylsulfanyl)-2-heptanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32OS3 |
| InChI |
InChI=1S/C27H32OS3/c1-5-27(30-23-17-11-7-12-18-23,31-24-19-13-8-14-20-24)21(2)25(26(3,4)28)29-22-15-9-6-10-16-22/h6-21,25,28H,5H2,1-4H3/t21-,25-/m0/s1 |
| InChIKey |
KLIJFKWQEIKEPX-OFVILXPXSA-N |
| Molecular Weight |
468.732 g/mol |
| SMILES |
OC([C@]([C@@](C(Sc1ccccc1)(Sc1ccccc1)CC)(C)[H])(Sc1ccccc1)[H])(C)C |
| SPLASH |
splash10-0kfy-0914000000-391fafa6410d2f268ba9 |
| Source of Spectrum |
KC-0-2958-16 |
| Wiley ID |
782396 |
