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

*Links on SpectraBase are not permalinks.
3,5,5-Trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID ClwX0E72fmw
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 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 7W2vypZrsMt
Name 3,5,5-Trimethyl-2-cyclohexene-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Instrument Name HP 5890 Series II-5972 or Varian CP 3800-Saturn 2200
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3679
Molecular Weight 138.210 g/mol
SMILES C1(C=C(CC(C1)(C)C)C)=O
SPLASH splash10-001i-9100000000-d918a36a51352156dca2
Source of Spectrum SFA-89-1953-4
Synonyms Isophorone
Wiley ID 1840258