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Ethyl 2-(2-methyl-3-oxocyclohex-1-enyl)benzoate
SpectraBase Compound ID 7SUcjt0bPXw
InChI InChI=1S/C16H18O3/c1-3-19-16(18)14-8-5-4-7-13(14)12-9-6-10-15(17)11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKey BCADVPSIPPSDIS-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvTy1hibbyj
Name Ethyl 2-(2-methyl-3-oxocyclohex-1-enyl)benzoate
Appearance White solid
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Exact Mass 258.125594437 u
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-3-19-16(18)14-8-5-4-7-13(14)12-9-6-10-15(17)11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKey BCADVPSIPPSDIS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500943
Molecular Weight 258.317 g/mol
Quality 474
Reported Formula C16H18O3
SMILES C(C)OC(C1=C(C=CC=C1)C1=C(C(CCC1)=O)C)=O
SPLASH splash10-053r-0490000000-3be3a1b1476e9a60fb92
Source of Spectrum QE-21-SM5-4e (DOI: 10.1002/chem.201500943)
Wiley ID 1906458