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2-(6-Oxo-cyclohex-1-enylmethyl)malonic acid diethyl ester
SpectraBase Compound ID CGc9UaIyPDq
InChI InChI=1S/C14H20O5/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h7,11H,3-6,8-9H2,1-2H3
InChIKey ZRYHORBDOBSBJU-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xGUtq9MYq0
Name 2-(6-Oxo-cyclohex-1-enylmethyl)malonic acid diethyl ester
Appearance Yellow oil
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Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h7,11H,3-6,8-9H2,1-2H3
InChIKey ZRYHORBDOBSBJU-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 268.309 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)OCC)C(OCC)=O)=O
SPLASH splash10-00fs-3910000000-87e5fa82d657952c152c
Source of Spectrum BJO-12-SM28-3a
Wiley ID 1851770