| SpectraBase Spectrum ID |
5zu6JyziscD |
| Name |
Hexanal, 2-ethyl-2-methyl-3-(phenylthio)-, (R*,S*)- |
| CAS Registry Number |
90121-97-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22OS |
| InChI |
InChI=1S/C15H22OS/c1-4-9-14(15(3,5-2)12-16)17-13-10-7-6-8-11-13/h6-8,10-12,14H,4-5,9H2,1-3H3/t14-,15+/m1/s1 |
| InChIKey |
CCZCOQLSIPSHAM-CABCVRRESA-N |
| Molecular Weight |
250.400 g/mol |
| SMILES |
[C@]([C@](Sc1ccccc1)(CCC)[H])(C=O)(CC)C |
| SPLASH |
splash10-0jb9-0920000000-03d986f0fc405c7cee90 |
| Source of Spectrum |
KC-1984-122-0 |
| Synonyms |
(2S,3R)-2-ethyl-2-methyl-3-(phenylsulfanyl)hexanal
2-Ethyl-2-methyl-3-phenylthiohexanal |
| Wiley ID |
1253524 |
