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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 JkWtisFSE4C
Name 1-CYCLOHEXENE-1-ACRYLIC ACID, 2,6,6-TRIMETHYL-3-OXO-, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 222.1251
SMILES C1CC(=O)C(C)=C(\C=C\C(OC)=O)C1(C)C
SPLASH splash10-08mi-4900000000-35ca6011bce5e399d90b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany