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8-Ethyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID JP1YzmhaDTT
InChI InChI=1S/C16H16O3/c1-3-11-9-12-7-5-6-8-13(12)10-14(15(11)17)16(18)19-4-2/h5-10H,3-4H2,1-2H3
InChIKey LWVBPLNFNGPKPR-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRv3cqdRlh6
Name 8-Ethyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 7-Ethylbenzotropone-2-carboxylate Ethyl 8-ethyl-7-oxo-7H-benzo[a]cycloheptene-6-carboxylate 8-Ethyl-7-oxo-6-benzo[7]annulenecarboxylic acid ethyl ester Ethyl 8-ethyl-7-oxobenzo[7]annulene-6-carboxylate Ethyl 8-ethyl-7-oxo-benzo[7]annulene-6-carboxylate Ethyl 8-ethyl-7-oxidanylidene-benzo[7]annulene-6-carboxylate
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Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-3-11-9-12-7-5-6-8-13(12)10-14(15(11)17)16(18)19-4-2/h5-10H,3-4H2,1-2H3
InChIKey LWVBPLNFNGPKPR-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C=1(C(C(=Cc2c(C1)cccc2)CC)=O)C(=O)OCC
SPLASH splash10-001i-0960000000-b2de3394bc68e9d53ac8
Source of Spectrum F-69-3420-3
Wiley ID 1595059