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

*Links on SpectraBase are not permalinks.
2-Cyclohexene-1-butanoic acid, 1-hydroxy-.beta.-oxo-, methyl ester
SpectraBase Compound ID IM9ePEVsJzl
InChI InChI=1S/C11H16O4/c1-15-10(13)7-9(12)8-11(14)5-3-2-4-6-11/h3,5,14H,2,4,6-8H2,1H3
InChIKey CMTWLNGMBMUSKW-UHFFFAOYSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 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 D8aSZjMIs9u
Name 2-Cyclohexene-1-butanoic acid, 1-hydroxy-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 4-(1-hydroxy-2-cyclohexen-1-yl)-3-oxobutanoate Methyl 4-(1-hydroxycyclohex-2-enyl)-3-oxobutanoate
CAS Registry Number 53063-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-15-10(13)7-9(12)8-11(14)5-3-2-4-6-11/h3,5,14H,2,4,6-8H2,1H3
InChIKey CMTWLNGMBMUSKW-UHFFFAOYSA-N
Molecular Weight 212.245 g/mol
SMILES OC1(CC(CC(=O)OC)=O)C=CCCC1
SPLASH splash10-009e-9500000000-7923b88e8f7c5a5692f3
Source of Spectrum I-52-2163-4
Wiley ID 1211177