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

*Links on SpectraBase are not permalinks.

2-(5-Hydroxy-4-methyl-3-oxocyclohexyl)-4-(2,4-bistrifluoromethylphenyl)but-3-en-2-ol

View entire compound with spectra: 1 MS (GC)

2-(5-Hydroxy-4-methyl-3-oxocyclohexyl)-4-(2,4-bistrifluoromethylphenyl)but-3-en-2-ol
SpectraBase Compound ID EWywSAxzGAo
InChI InChI=1S/C19H20F6O3/c1-10-15(26)8-13(9-16(10)27)17(2,28)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,15,26,28H,8-9H2,1-2H3/b6-5-/t10-,13?,15?,17-/m0/s1
InChIKey CQOUQHIJSUSCQP-FJAAQQNVSA-N
Mol Weight 410.36 g/mol
Molecular Formula C19H20F6O3
Exact Mass 410.131663 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 DZFPLPAypX8
Name 2-(5-Hydroxy-4-methyl-3-oxocyclohexyl)-4-(2,4-bistrifluoromethylphenyl)but-3-en-2-ol
Alternate Name(s) (S)-5-[(Z)-(R)-3-(2,4-Bis-trifluoromethyl-phenyl)-1-hydroxy-1-methyl-allyl]-3-hydroxy-2-methyl-cyclohexanone 5-{(2E)-3-[2,4-bis(trifluoromethyl)phenyl]-1-hydroxy-1-methyl-2-propenyl}-3-hydroxy-2-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20F6O3
InChI InChI=1S/C19H20F6O3/c1-10-15(26)8-13(9-16(10)27)17(2,28)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,15,26,28H,8-9H2,1-2H3/b6-5-/t10-,13?,15?,17-/m0/s1
InChIKey CQOUQHIJSUSCQP-FJAAQQNVSA-N
Molecular Weight 410.356 g/mol
SMILES OC1[C@@](C(CC([C@](\C=C/c2c(C(F)(F)F)cc(C(F)(F)F)cc2)(O)C)C1)=O)(C)[H]
SPLASH splash10-03ec-0579000000-246cf766e9680a1d21e2
Source of Spectrum AT-38-4266-5
Wiley ID 853902