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

*Links on SpectraBase are not permalinks.

4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

View entire compound with spectra: 4 NMR, 1 FTIR, and 6 MS (GC)

4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID INZCK6NfVkI
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KVpOSgJoG12
Name 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-
CAS Registry Number 33596-78-0
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Synonyms 4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one S(+)-Dehydrovomifoliol
Technique KBr-Pellet