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Phenyl-Methyl-4-(1-methylvinyl)-2-oxocyclohexanecarboxylate
SpectraBase Compound ID ECMZObbUPSF
InChI InChI=1S/C17H20O3/c1-12(2)14-8-9-15(16(18)10-14)17(19)20-11-13-6-4-3-5-7-13/h3-7,14-15H,1,8-11H2,2H3
InChIKey SSSDIFXDLTUPIJ-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWcT4l9Fpkq
Name Phenyl-Methyl-4-(1-methylvinyl)-2-oxocyclohexanecarboxylate
Alternate Name(s) benzyl 4-isopropenyl-2-oxocyclohexanecarboxylate
CAS Registry Number 126256-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-12(2)14-8-9-15(16(18)10-14)17(19)20-11-13-6-4-3-5-7-13/h3-7,14-15H,1,8-11H2,2H3
InChIKey SSSDIFXDLTUPIJ-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES C1(C(CC(CC1)C(=C)C)=O)C(OCc1ccccc1)=O
SPLASH splash10-0a4m-9500000000-1bfc826dc0a2401922f1
Source of Spectrum K-123-1572-3
Wiley ID 1276451