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3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID 3ngzzs6h9zV
InChI InChI=1S/C12H18O/c1-10(13)7-8-11-6-4-5-9-12(11,2)3/h6-8H,4-5,9H2,1-3H3/b8-7+
InChIKey JXVNWAUWOPLPEA-BQYQJAHWSA-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 C0m5dxkMw22
Name 3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)-
CAS Registry Number 65133-79-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(13)7-8-11-6-4-5-9-12(11,2)3/h6-8H,4-5,9H2,1-3H3/b8-7+
InChIKey JXVNWAUWOPLPEA-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C1C=C(C(CC1)(C)C)\C=C\C(C)=O
SPLASH splash10-006x-9700000000-63bdc2a63671d9681d33
Synonyms (3E)-4-(6,6-Dimethyl-1-cyclohexen-1-yl)-3-buten-2-one (E)-4-(6,6-dimethyl-1-cyclohexenyl)-3-buten-2-one (E)-4-(6,6-dimethylcyclohexen-1-yl)but-3-en-2-one
Wiley ID 1488990