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8-Allyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID Lgip77nULOG
InChI InChI=1S/C17H16O3/c1-3-7-14-10-12-8-5-6-9-13(12)11-15(16(14)18)17(19)20-4-2/h3,5-6,8-11H,1,4,7H2,2H3
InChIKey XOJQKTAYXMKDRB-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1cVadb56g2
Name 8-Allyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 7-Allylbenzotropone-2-carboxylate Ethyl 8-allyl-7-oxo-7H-benzo[a]cycloheptene-6-carboxylate 7-Oxo-8-prop-2-enyl-6-benzo[7]annulenecarboxylic acid ethyl ester Ethyl 7-oxo-8-prop-2-enylbenzo[7]annulene-6-carboxylate Ethyl 8-allyl-7-oxo-benzo[7]annulene-6-carboxylate Ethyl 7-oxidanylidene-8-prop-2-enyl-benzo[7]annulene-6-carboxylate
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Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-3-7-14-10-12-8-5-6-9-13(12)11-15(16(14)18)17(19)20-4-2/h3,5-6,8-11H,1,4,7H2,2H3
InChIKey XOJQKTAYXMKDRB-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES C=1(C(C(=Cc2c(C1)cccc2)CC=C)=O)C(=O)OCC
SPLASH splash10-01bc-0940000000-e5cf888b764f3888a828
Source of Spectrum F-69-3421-3
Wiley ID 1595051