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

*Links on SpectraBase are not permalinks.
4-(5,5-Dimethyl-6-oxo-cyclohex-1-enyl)-3-hydroxymethylbutyric acid, methyl ester
SpectraBase Compound ID AQabR3tzocS
InChI InChI=1S/C14H22O4/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10,15H,4,6-9H2,1-3H3
InChIKey CRXDTDZMTUBFOB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 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 8gMIGGfhYq5
Name 4-(5,5-DIMETHYL-6-OXOCYCLOHEX-1-ENYL)-3-HYDROXYMETHYLBUTYRIC ACID,METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10,15H,4,6-9H2,1-3H3
InChIKey CRXDTDZMTUBFOB-UHFFFAOYSA-N
Molecular Weight 254.1512
SMILES OCC(CC(OC)=O)CC=1C(=O)C(C)(C)CCC1
SPLASH splash10-0006-9610000000-6735f816b4e7ad94edf9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany