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3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-3-phenyl-propionic acid ethyl ester
SpectraBase Compound ID JEjr1LTZlRn
InChI InChI=1S/C18H20O4/c1-2-22-18(21)15(12-14-10-6-7-11-16(14)19)17(20)13-8-4-3-5-9-13/h3-5,8-10,15H,2,6-7,11-12H2,1H3
InChIKey BXYQFGJZQDJTGC-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CqDcld6TFj
Name 3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-3-phenyl-propionic acid ethyl ester
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-2-22-18(21)15(12-14-10-6-7-11-16(14)19)17(20)13-8-4-3-5-9-13/h3-5,8-10,15H,2,6-7,11-12H2,1H3
InChIKey BXYQFGJZQDJTGC-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 300.354 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)OCC)C(=O)c1ccccc1)=O
SPLASH splash10-0a4i-4910000000-8b838bbdbb3bc6512e80
Source of Spectrum BJO-12-SM31-3f
Wiley ID 1851775