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2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID 9bRkahCV1gj
InChI InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3/b7-5+
InChIKey FLOPAOUVAMIAJN-FNORWQNLSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtbPqm2LeJh
Name 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Registry Number 53018-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3/b7-5+
InChIKey FLOPAOUVAMIAJN-FNORWQNLSA-N
Molecular Weight 178.275 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\C=O
SPLASH splash10-01ox-9800000000-d81ea45bb0fdbc463563
Source of Spectrum H-57-1111-28
Synonyms (2E)-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenal (E)-3-(2,6,6-trimethyl-1-cyclohexenyl)-2-propenal 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- (E)-3-(2,6,6-trimethylcyclohexen-1-yl)acrolein (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enal 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)acrylaldehyde EINECS 225-595-6
Wiley ID 1174593