For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
rac-trans-2-(3-Methoxyphenyl)cyclohexanol Benzylsulfonate
SpectraBase Compound ID EGsgxeaTRQK
InChI InChI=1S/C20H24O4S/c1-23-18-11-7-10-17(14-18)19-12-5-6-13-20(19)24-25(21,22)15-16-8-3-2-4-9-16/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3/t19-,20+/m1/s1
InChIKey VUYMRHBRPBLEDQ-UXHICEINSA-N
Mol Weight 360.47 g/mol
Molecular Formula C20H24O4S
Exact Mass 360.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LeXdxuRYDgG
Name rac-trans-2-(3-Methoxyphenyl)cyclohexanol Benzylsulfonate
Alternate Name(s) (1S,2R)-2-(3-methoxyphenyl)cyclohexyl phenylmethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4S
InChI InChI=1S/C20H24O4S/c1-23-18-11-7-10-17(14-18)19-12-5-6-13-20(19)24-25(21,22)15-16-8-3-2-4-9-16/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3/t19-,20+/m1/s1
InChIKey VUYMRHBRPBLEDQ-UXHICEINSA-N
Molecular Weight 360.468 g/mol
SMILES [C@]1(OS(=O)(=O)Cc2ccccc2)([C@@](c2cc(OC)ccc2)(CCCC1)[H])[H]
SPLASH splash10-000i-0901000000-1211cfc2d6cd6ea32858
Source of Spectrum KC-61-3237-12
Wiley ID 1628349