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1-cyano-1-methylpropanetricarboxylic acid 1-(isopropyl ester) 2,3-bis(methyl ester)
SpectraBase Compound ID GibEstCbsfG
InChI InChI=1S/C13H19NO6/c1-8(2)20-12(17)13(3,7-14)9(11(16)19-5)6-10(15)18-4/h8-9H,6H2,1-5H3
InChIKey DEXDQFJLJRPJEV-UHFFFAOYSA-N
Mol Weight 285.3 g/mol
Molecular Formula C13H19NO6
Exact Mass 285.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ebu6sMCtrO
Name 1-cyano-1-methylpropanetricarboxylic acid 1-(isopropyl ester) 2,3-bis(methyl ester)
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Formula C13H19NO6
InChI InChI=1S/C13H19NO6/c1-8(2)20-12(17)13(3,7-14)9(11(16)19-5)6-10(15)18-4/h8-9H,6H2,1-5H3
InChIKey DEXDQFJLJRPJEV-UHFFFAOYSA-N
Molecular Weight 285.296 g/mol
SMILES C(C(OC(C)C)=O)(C(C(=O)OC)CC(=O)OC)(C#N)C
SPLASH splash10-02bo-4970000000-5d5bee5578f66096c6d7
Source of Spectrum J-55-2512-7
Synonyms 3-isopropyl 1,2-dimethyl 3-cyano-1,2,3-butanetricarboxylate
Wiley ID 1288789