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

*Links on SpectraBase are not permalinks.
(1R,3S,4S)-4-(2-Oxo-propyl)-2-phenyl-cyclohexane-1,3-dicarbaldehyde
SpectraBase Compound ID LGxkayHpF4p
InChI InChI=1S/C17H20O3/c1-12(20)9-14-7-8-15(10-18)17(16(14)11-19)13-5-3-2-4-6-13/h2-6,10-11,14-17H,7-9H2,1H3/t14-,15-,16-,17?/m0/s1
InChIKey CCHBFOUWBYTIDD-RXMKTKRKSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 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 ItiZZB5z6Oz
Name (1R,3S,4S)-4-(2-Oxo-propyl)-2-phenyl-cyclohexane-1,3-dicarbaldehyde
Alternate Name(s) 4-(2'-Oxopropyl)-2-phenylcyclohexane-1,3-dicarbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-12(20)9-14-7-8-15(10-18)17(16(14)11-19)13-5-3-2-4-6-13/h2-6,10-11,14-17H,7-9H2,1H3/t14-,15-,16-,17?/m0/s1
InChIKey CCHBFOUWBYTIDD-RXMKTKRKSA-N
Molecular Weight 272.344 g/mol
SMILES [C@@]1(C([C@@](CC[C@]1(CC(=O)C)[H])(C=O)[H])c1ccccc1)(C=O)[H]
SPLASH splash10-016u-7920000000-4bb170dedf4a8d11393d
Source of Spectrum F5-7-3098-3a
Wiley ID 1696662