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Methyl 4-oxo-3-(2'-oxobutyl)cycloheptene-3-carboxylate
SpectraBase Compound ID JxBUT37ANLc
InChI InChI=1S/C13H18O4/c1-3-10(14)9-13(12(16)17-2)8-6-4-5-7-11(13)15/h6,8H,3-5,7,9H2,1-2H3
InChIKey HICULXSIPUUCEH-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Kf8h5Equh7
Name Methyl 4-oxo-3-(2'-oxobutyl)cycloheptene-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-10(14)9-13(12(16)17-2)8-6-4-5-7-11(13)15/h6,8H,3-5,7,9H2,1-2H3
InChIKey HICULXSIPUUCEH-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCC=C1)CC(=O)CC
SPLASH splash10-08fr-0950000000-867599cfcb141d821a97
Source of Spectrum U1-1998-761-6
Synonyms Methyl 7-oxo-1-(2-oxobutyl)-2-cycloheptene-1-carboxylate
Wiley ID 751069