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4-methyl-6-(4',6',6'-trimethyl-2'-oxocyclohex-3'-enyl)pyran-2-one
SpectraBase Compound ID F5m4vCymbo9
InChI InChI=1S/C15H18O3/c1-9-6-12(18-13(17)7-9)14-11(16)5-10(2)8-15(14,3)4/h5-7,14H,8H2,1-4H3
InChIKey NNIPWKXDBPRGOK-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DD8AOYfLmnL
Name 4-methyl-6-(4',6',6'-trimethyl-2'-oxocyclohex-3'-enyl)pyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-9-6-12(18-13(17)7-9)14-11(16)5-10(2)8-15(14,3)4/h5-7,14H,8H2,1-4H3
InChIKey NNIPWKXDBPRGOK-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C=1(C2C(C=C(CC2(C)C)C)=O)OC(=O)C=C(C1)C
SPLASH splash10-03dj-0950000000-c9811444daaac189e607
Source of Spectrum B-45-179-0
Synonyms 4-methyl-6-(4,6,6-trimethyl-2-oxo-3-cyclohexen-1-yl)-2H-pyran-2-one 4-methyl-6-(4,6,6-trimethyl-2-oxo-1-cyclohex-3-enyl)-2-pyranone 4-methyl-6-(4,6,6-trimethyl-2-oxocyclohex-3-en-1-yl)pyran-2-one 4-methyl-6-(4,6,6-trimethyl-2-oxo-cyclohex-3-en-1-yl)pyran-2-one 4-methyl-6-(4,6,6-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl)pyran-2-one
Wiley ID 1249249