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(E)-1-propene-1,2,3-tricarboxylic acid triethyl ester
SpectraBase Compound ID 2ujNf0094g0
InChI InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKey IDDWGDKSBYYEPL-VQHVLOKHSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Zjv4pboxo9
Name (E)-1-propene-1,2,3-tricarboxylic acid triethyl ester
Alternate Name(s) Triethyl aconitate (E)-prop-1-ene-1,2,3-tricarboxylic acid triethyl ester Triethyl (E)-prop-1-ene-1,2,3-tricarboxylate
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Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKey IDDWGDKSBYYEPL-VQHVLOKHSA-N
Molecular Weight 258.270 g/mol
SMILES C(\C=C\(C(=O)OCC)CC(=O)OCC)(=O)OCC
SPLASH splash10-03fr-7930000000-d8e04da8ad92e1f3e86d
Source of Spectrum IC-718-0-0
Wiley ID 1261414