| SpectraBase Spectrum ID |
EkOqP2zYYAn |
| Name |
(2SR,4SR,5RS)-5-methyl-5-benzylsulfanyl)heptane-2,4-diol |
| Alternate Name(s) |
(2RS,4SR,5RS)-5-methyl-5-(benzylsulfanyl)heptane-2,4-diol
5-(benzylsulfanyl)-5-methyl-2,4-heptanediol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O2S |
| InChI |
InChI=1S/C15H24O2S/c1-4-15(3,14(17)10-12(2)16)18-11-13-8-6-5-7-9-13/h5-9,12,14,16-17H,4,10-11H2,1-3H3 |
| InChIKey |
TYGPIRWMVLURNA-UHFFFAOYSA-N |
| Molecular Weight |
268.415 g/mol |
| SMILES |
OC(CC(C(SCc1ccccc1)(CC)C)O)C |
| SPLASH |
splash10-0006-9000000000-5527401b1b779f12e75d |
| Source of Spectrum |
K-2002-2286-0 |
| Wiley ID |
1613169 |
