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2-(Cyclohex-2-en-1-on-2-yl-methyl)-malonic acid, dimethyl ester
SpectraBase Compound ID 4lRgCfcDrBo
InChI InChI=1S/C12H16O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h5,9H,3-4,6-7H2,1-2H3
InChIKey FPDNTFDVVKMRPX-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iZ6zUawJUn
Name 2-(6-Oxo-cyclohex-1-enylmethyl)malonic acid dimethyl ester
Appearance Yellow oil
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Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h5,9H,3-4,6-7H2,1-2H3
InChIKey FPDNTFDVVKMRPX-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 240.255 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)OC)C(OC)=O)=O
SPLASH splash10-0adj-5910000000-297f5cfb6a42273502b8
Source of Spectrum BJO-12-SM28-3b
Wiley ID 1851771