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2H-Pyran-3(6H)-one, 4-methyl-6-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadi enyl]-, (E,E)-(.+-.)-
SpectraBase Compound ID 2qSpj39BFHO
InChI InChI=1S/C20H28O2/c1-14(11-17-12-16(3)19(21)13-22-17)8-9-18-15(2)7-6-10-20(18,4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3/b9-8+,14-11+
InChIKey FHVWXWDUVQNYKU-HUKVCQRGSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K95uqohgvcx
Name 2H-Pyran-3(6H)-one, 4-methyl-6-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadi enyl]-, (E,E)-(.+-.)-
CAS Registry Number 76461-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14(11-17-12-16(3)19(21)13-22-17)8-9-18-15(2)7-6-10-20(18,4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3/b9-8+,14-11+
InChIKey FHVWXWDUVQNYKU-HUKVCQRGSA-N
Molecular Weight 300.442 g/mol
SMILES C1(\C=C\C(=C\C2C=C(C)C(CO2)=O)C)=C(CCCC1(C)C)C
SPLASH splash10-07vi-6901000000-49f93d329a9550f468f0
Source of Spectrum F-36-1182-0
Synonyms (+,-)-(E,E)-4-methyl-2-2-[methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-2H-pyran-3(6H)-one 4-Methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-2H-pyran-3(6H)-one
Wiley ID 1303335