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

*Links on SpectraBase are not permalinks.

LBLCIFBDPASJDL-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

LBLCIFBDPASJDL-UHFFFAOYSA-N
SpectraBase Compound ID KXj4QFwMJXg
InChI InChI=1S/C11H16O3/c1-7-9(10(13)14-4)8(12)5-6-11(7,2)3/h5-6H2,1-4H3
InChIKey LBLCIFBDPASJDL-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 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 4R8LObFA7E
Name 2,3,3-trimethyl-6-oxo-1-cyclohexenecarboxylic acid methyl ester
Alternate Name(s) 6-keto-2,3,3-trimethyl-cyclohexene-1-carboxylic acid methyl ester Methyl 2,3,3-trimethyl-6-oxidanylidene-cyclohexene-1-carboxylate Methyl 2,3,3-trimethyl-6-oxo-cyclohexene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7-9(10(13)14-4)8(12)5-6-11(7,2)3/h5-6H2,1-4H3
InChIKey LBLCIFBDPASJDL-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C1(=C(C(CCC1=O)(C)C)C)C(=O)OC
SPLASH splash10-014s-0900000000-5a063e5c95f99be3a49b
Source of Spectrum AH-130-817-11
Wiley ID 770762