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Dimethyl (3E)-pent-3-enylmalonate
SpectraBase Compound ID HYInwfanNsD
InChI InChI=1S/C10H16O4/c1-4-5-6-7-8(9(11)13-2)10(12)14-3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey XSYZJMCPMQVFOH-SNAWJCMRSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1G18x9iGBrO
Name Dimethyl (3E)-pent-3-enylmalonate
Appearance Colorless oil
Carrier Gas Nitrogen
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Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-4-5-6-7-8(9(11)13-2)10(12)14-3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey XSYZJMCPMQVFOH-SNAWJCMRSA-N
Instrument Name Varian MAT 711
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502051
Molecular Weight 200.234 g/mol
Quality 444
Reported Formula C10H16O4
SMILES COC(C(C(=O)OC)CC\C=C\C)=O
SPLASH splash10-0f89-3900000000-f6f0d5a678f07dce4a4a
Source of Spectrum QE-21-SM5-8a (DOI: 10.1002/chem.201502051)
Thin-Layer Chromatography 0.49 (hexanes/Et2O, 5:1)
Wiley ID 1909162