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2,4,4-Trimethyl-3-[(1E)-3-methyl-1,3-butadienyl]cyclohexanone
SpectraBase Compound ID sw3DbKnESx
InChI InChI=1S/C14H22O/c1-10(2)6-7-12-11(3)13(15)8-9-14(12,4)5/h6-7,11-12H,1,8-9H2,2-5H3/b7-6+
InChIKey HGQWTGUYGPYIMN-VOTSOKGWSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mxuAjpCJQO
Name 2,4,4-Trimethyl-3-[(1E)-3-methyl-1,3-butadienyl]cyclohexanone
Alternate Name(s) 2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]-1-cyclohexanone 2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one 2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexanone
CAS Registry Number 97452-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(2)6-7-12-11(3)13(15)8-9-14(12,4)5/h6-7,11-12H,1,8-9H2,2-5H3/b7-6+
InChIKey HGQWTGUYGPYIMN-VOTSOKGWSA-N
Molecular Weight 206.329 g/mol
SMILES C1(=O)CCC(C(C1C)\C=C\C(=C)C)(C)C
SPLASH splash10-0a4l-9610000000-84cf38b6d87f551fab4f
Wiley ID 1479886