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3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid ethyl ester
SpectraBase Compound ID KFtkKwBpJbT
InChI InChI=1S/C13H18O4/c1-3-17-13(16)11(9(2)14)8-10-6-4-5-7-12(10)15/h6,11H,3-5,7-8H2,1-2H3
InChIKey KPYWQPXLUNOLNL-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 C4bXolnqPXy
Name 3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid ethyl ester
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-17-13(16)11(9(2)14)8-10-6-4-5-7-12(10)15/h6,11H,3-5,7-8H2,1-2H3
InChIKey KPYWQPXLUNOLNL-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 238.283 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)OCC)C(=O)C)=O
SPLASH splash10-00di-3910000000-c6525e95f707916432da
Source of Spectrum BJO-12-SM30-3e
Wiley ID 1851774