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5-keto-6-methyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID 4OHnquG1zJg
InChI InChI=1S/C15H18O3/c1-3-18-14(17)15(2)10-6-8-11-7-4-5-9-12(11)13(15)16/h4-5,7,9H,3,6,8,10H2,1-2H3
InChIKey WWSGJRGNEFMDFE-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 1Y2SqKWbJI
Name 5-keto-6-methyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid ethyl ester
Alternate Name(s) 6-Methyl-5-oxo-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid ethyl ester Ethyl 6-methyl-5-oxidanylidene-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Ethyl 6-methyl-5-oxo-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-18-14(17)15(2)10-6-8-11-7-4-5-9-12(11)13(15)16/h4-5,7,9H,3,6,8,10H2,1-2H3
InChIKey WWSGJRGNEFMDFE-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C1(C(c2c(cccc2)CCC1)=O)(C(=O)OCC)C
SPLASH splash10-0002-0980000000-252d3cdccfc0ae2c290a
Source of Spectrum F-48-4035-11
Wiley ID 1249288