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(E)-Ethyl 3-(1-oxo-5,5-dimethyl-2-cyclohexenyl)acrylate
SpectraBase Compound ID 1f1DxdYLWZ3
InChI InChI=1S/C13H18O3/c1-4-16-12(15)6-5-10-7-8-13(2,3)9-11(10)14/h5-7H,4,8-9H2,1-3H3/b6-5+
InChIKey RVYTYLDQEWDKMM-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 BBeHYyl1Awm
Name (E)-Ethyl 3-(1-oxo-5,5-dimethyl-2-cyclohexenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-16-12(15)6-5-10-7-8-13(2,3)9-11(10)14/h5-7H,4,8-9H2,1-3H3/b6-5+
InChIKey RVYTYLDQEWDKMM-AATRIKPKSA-N
Molecular Weight 222.284 g/mol
SMILES C=1(C(CC(CC1)(C)C)=O)\C=C\C(=O)OCC
SPLASH splash10-044v-1920000000-322e523b3610cfb0cfae
Source of Spectrum F-49-41-4
Synonyms Ethyl (2E)-3-(4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-2-propenoate
Wiley ID 1222684