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(E)-3-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-2-propenoic acid methyl ester
SpectraBase Compound ID IZobwJLOaiO
InChI InChI=1S/C13H18O3/c1-9-10(5-6-12(15)16-4)13(2,3)8-7-11(9)14/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey NSYUZYUQZAXLNO-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64tNLZTcbDe
Name (E)-3-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-2-propenoic acid methyl ester
Alternate Name(s) Methyl (2E)-3-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2-propenoate (E)-3-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)acrylic acid methyl ester 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-, methyl ester Methyl (E)-3-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)prop-2-enoate Methyl (E)-3-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)prop-2-enoate
CAS Registry Number 70412-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-10(5-6-12(15)16-4)13(2,3)8-7-11(9)14/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey NSYUZYUQZAXLNO-AATRIKPKSA-N
Molecular Weight 222.284 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)\C=C\C(=O)OC
SPLASH splash10-03k9-2900000000-6a520d085e3100d0d60c
Source of Spectrum H-62-571-0
Wiley ID 1222530