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8-Butyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID ATqK0mDTcM
InChI InChI=1S/C18H20O3/c1-3-5-8-15-11-13-9-6-7-10-14(13)12-16(17(15)19)18(20)21-4-2/h6-7,9-12H,3-5,8H2,1-2H3
InChIKey TURVKBWCZAWQCW-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEVdFa9vfZ3
Name 8-Butyl-7-oxo-7H-benzocycloheptene-6-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-3-5-8-15-11-13-9-6-7-10-14(13)12-16(17(15)19)18(20)21-4-2/h6-7,9-12H,3-5,8H2,1-2H3
InChIKey TURVKBWCZAWQCW-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES C=1(C(C(=Cc2c(C1)cccc2)CCCC)=O)C(=O)OCC
SPLASH splash10-0bu0-0190000000-8458f204a41e99060136
Source of Spectrum F-69-3420-3
Synonyms Ethyl 7-Butylbenzotropone-2-carboxylate Ethyl 8-butyl-7-oxo-7H-benzo[a]cycloheptene-6-carboxylate
Wiley ID 1595057