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2-Hexylidenemalonic acid diethyl ester
SpectraBase Compound ID JlO8ODU5c3L
InChI InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h10H,4-9H2,1-3H3
InChIKey XLMIJZNPBJRMBG-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr4Lda1aQoJ
Name 2-Hexylidenemalonic acid diethyl ester
Alternate Name(s) Diethyl 2-hexylidenemalonate 2-Hexylidenepropanedioic acid diethyl ester Diethyl 2-hexylidenepropanedioate
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h10H,4-9H2,1-3H3
InChIKey XLMIJZNPBJRMBG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 242.315 g/mol
SMILES C(C(C(=O)OCC)=CCCCCC)(=O)OCC
SPLASH splash10-052b-5900000000-15504e050e627717aa30
Source of Spectrum ASC-347-1587/SM5-5_3
Wiley ID 1767780