SpectraBase Spectrum ID |
7Ni7b5ISe |
Name |
(2R*,1'R*,2'S*)-2-[1-Methoxy-2-(phenylthio)propyl]cyclohexanone |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H22O2S |
InChI |
InChI=1S/C16H22O2S/c1-12(19-13-8-4-3-5-9-13)16(18-2)14-10-6-7-11-15(14)17/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t12-,14-,16-/m0/s1 |
InChIKey |
SQWFEGCCUPCPQB-NOLJZWGESA-N |
Molecular Weight |
278.410 g/mol |
SMILES |
[C@]1([C@]([C@@](Sc2ccccc2)(C)[H])(OC)[H])(C(=O)CCCC1)[H] |
SPLASH |
splash10-001r-6900000000-97658c58de7ed3598105 |
Source of Spectrum |
J-58-586-3 |
Synonyms |
(2R)-2-[(1R,2S)-1-methoxy-2-(phenylsulfanyl)propyl]cyclohexanone |
Wiley ID |
1282001 |