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

*Links on SpectraBase are not permalinks.
Cyclohexanone, 2,4,4-trimethyl-3-(2-propenyl)-
SpectraBase Compound ID BtZK34FxeBL
InChI InChI=1S/C12H20O/c1-5-6-10-9(2)11(13)7-8-12(10,3)4/h5,9-10H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKey MBEJZEJMUSYSOR-QVDQXJPCSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 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 9ZWudsUwLIy
Name Cyclohexanone, 2,4,4-trimethyl-3-(2-propenyl)-
Alternate Name(s) (+-)-3R-Allyl-2,4,4-trimethyl-cyclohexanone (3R)-3-allyl-2,4,4-trimethylcyclohexanone
CAS Registry Number 123966-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-5-6-10-9(2)11(13)7-8-12(10,3)4/h5,9-10H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKey MBEJZEJMUSYSOR-QVDQXJPCSA-N
Molecular Weight 180.291 g/mol
SMILES [C@@]1(C(C(=O)CCC1(C)C)C)(CC=C)[H]
SPLASH splash10-000b-8900000000-9bcb40ff854cf214a89f
Source of Spectrum F-45-665-10
Wiley ID 1176878