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2-Cyclohexen-1-one, 5-ethenyl-5-methyl-4-(1-methylethenyl)-, trans-(.+-.)-
SpectraBase Compound ID Ai2wg6ZWCcp
InChI InChI=1S/C12H16O/c1-5-12(4)8-10(13)6-7-11(12)9(2)3/h5-7,11H,1-2,8H2,3-4H3/t11-,12-/m1/s1
InChIKey RGQVEUOPBRKWIH-VXGBXAGGSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89aPkEtU1nQ
Name 2-Cyclohexen-1-one, 5-ethenyl-5-methyl-4-(1-methylethenyl)-, trans-(.+-.)-
CAS Registry Number 121401-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-5-12(4)8-10(13)6-7-11(12)9(2)3/h5-7,11H,1-2,8H2,3-4H3/t11-,12-/m1/s1
InChIKey RGQVEUOPBRKWIH-VXGBXAGGSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]1([C@](C=CC(C1)=O)(C(=C)C)[H])(C=C)C
SPLASH splash10-001i-9400000000-9c944be361003d1247b4
Source of Spectrum F-44-1389-50
Synonyms (4R,5S)-4-isopropenyl-5-methyl-5-vinyl-2-cyclohexen-1-one 5-endo-methyl-5-exo-ethenyl-4-endo-propen-2-ylcyclohex-2-en-1-one
Wiley ID 1172743