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5-ketohex-1-ene-1,2,3-tricarboxylic acid trimethyl ester
SpectraBase Compound ID HDsGLgNKdKA
InChI InChI=1S/C12H16O7/c1-6(10(14)17-3)8(11(15)18-4)9(7(2)13)12(16)19-5/h8-9H,1H2,2-5H3
InChIKey HHLJKIBZHBWJHK-UHFFFAOYSA-N
Mol Weight 272.25 g/mol
Molecular Formula C12H16O7
Exact Mass 272.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fqTEtCn92P
Name 5-ketohex-1-ene-1,2,3-tricarboxylic acid trimethyl ester
Alternate Name(s) 5-Oxo-1-hexene-1,2,3-tricarboxylic acid trimethyl ester Trimethyl 5-oxidanylidenehex-1-ene-1,2,3-tricarboxylate Trimethyl 5-oxohex-1-ene-1,2,3-tricarboxylate
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Formula C12H16O7
InChI InChI=1S/C12H16O7/c1-6(10(14)17-3)8(11(15)18-4)9(7(2)13)12(16)19-5/h8-9H,1H2,2-5H3
InChIKey HHLJKIBZHBWJHK-UHFFFAOYSA-N
Molecular Weight 272.253 g/mol
SMILES C(C(C(=O)OC)C(=O)C)(C(C(=O)OC)=C)C(=O)OC
SPLASH splash10-052o-6910000000-e7e9dc01d5158df4b837
Source of Spectrum F-52-1042-8
Wiley ID 794700