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

*Links on SpectraBase are not permalinks.
Ethanone, 2-[5-methyl-2-(1-methylethyl)-1-[2-phenyl-3-(phenylthio)propoxy]cyclohexyl]-1-phenyl-, [1R-[1.alpha.(R*),2.alpha.,5.beta.]]-
SpectraBase Compound ID JHKhN4MvvgY
InChI InChI=1S/C33H40O2S/c1-25(2)31-20-19-26(3)21-33(31,22-32(34)28-15-9-5-10-16-28)35-23-29(27-13-7-4-8-14-27)24-36-30-17-11-6-12-18-30/h4-18,25-26,29,31H,19-24H2,1-3H3/t26-,29?,31+,33-/m1/s1
InChIKey XFIRQWWKMPFZLC-DWAJKPEHSA-N
Mol Weight 500.7 g/mol
Molecular Formula C33H40O2S
Exact Mass 500.274902 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 64SYg0vZqam
Name Ethanone, 2-[5-methyl-2-(1-methylethyl)-1-[2-phenyl-3-(phenylthio)propoxy]cyclohexyl]-1-phenyl-, [1R-[1.alpha.(R*),2.alpha.,5.beta.]]-
Alternate Name(s) 1-((3-phenylthio-2-phenyl-propyloxy)-1-(benzoylmethyl)-2-isopropyl-5-methylcyclohexane 2-{(1R,2S,5R)-2-isopropyl-5-methyl-1-[2-phenyl-3-(phenylsulfanyl)propoxy]cyclohexyl}-1-phenylethanone
CAS Registry Number 105857-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40O2S
InChI InChI=1S/C33H40O2S/c1-25(2)31-20-19-26(3)21-33(31,22-32(34)28-15-9-5-10-16-28)35-23-29(27-13-7-4-8-14-27)24-36-30-17-11-6-12-18-30/h4-18,25-26,29,31H,19-24H2,1-3H3/t26-,29?,31+,33-/m1/s1
InChIKey XFIRQWWKMPFZLC-DWAJKPEHSA-N
Molecular Weight 500.741 g/mol
SMILES [C@@]1(CC(=O)c2ccccc2)([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])OCC(CSc1ccccc1)c1ccccc1
SPLASH splash10-05fr-0920000000-72cbe584a6d08517d28c
Source of Spectrum C-109-530-4
Wiley ID 1398986