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4-Isopropenyl-2-methoxycyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID 94gVfGZGEzK
InChI InChI=1S/C11H12O2/c1-8(2)9-5-4-6-10(12)11(7-9)13-3/h4-7H,1H2,2-3H3
InChIKey YKULTILFBWHWHK-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dSYuzJnGMK
Name 4-Isopropenyl-2-methoxycyclohepta-2,4,6-trien-1-one
Alternate Name(s) 4-isopropenyl-2-methoxy-2,4,6-cycloheptatrien-1-one 2-methoxy-4-(1-methylethenyl)-1-cyclohepta-2,4,6-trienone 2-methoxy-4-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one 2-methoxy-4-prop-1-en-2-yl-cyclohepta-2,4,6-trien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8(2)9-5-4-6-10(12)11(7-9)13-3/h4-7H,1H2,2-3H3
InChIKey YKULTILFBWHWHK-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES C=1C(C(=C)C)=CC=CC(C1OC)=O
SPLASH splash10-004j-0900000000-4f4d43dbf378cb1ebf47
Source of Spectrum B-44-705-0
Wiley ID 1172485