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3-(3-Methyl-1-butadienyl)-2,4,4-trimethyl-2-cyclohexen-1-one

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

3-(3-Methyl-1-butadienyl)-2,4,4-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 8kWb5zv4wNP
InChI InChI=1S/C14H20O/c1-10(2)6-7-12-11(3)13(15)8-9-14(12,4)5/h6-7H,1,8-9H2,2-5H3/b7-6+
InChIKey IDPAMNZYHOQIHH-VOTSOKGWSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TlUUHZWpnZ
Name 2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]-1-cyclohex-2-enone
Alternate Name(s) 2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-one
CAS Registry Number 98418-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-10(2)6-7-12-11(3)13(15)8-9-14(12,4)5/h6-7H,1,8-9H2,2-5H3/b7-6+
InChIKey IDPAMNZYHOQIHH-VOTSOKGWSA-N
Molecular Weight 204.313 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)\C=C\C(=C)C
SPLASH splash10-0miy-3910000000-6be702943ba4e81788d3
Source of Spectrum H-68-642-10
Wiley ID 1202346