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2,5-diaminoterephthalic acid, diethyl ester

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2,5-diaminoterephthalic acid, diethyl ester
SpectraBase Compound ID 3LsxwYu0nYT
InChI InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3
InChIKey KMKCBOQRRWZRII-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B31TXECme4e
Name 1,4-Benzenedicarboxylic acid, 2,5-diamino-, diethyl ester
Alternate Name(s) Diethyl 2,5-diaminoterephthalate Diethyl 2,5-diaminobenzene-1,4-dicarboxylate Diethyl 2,5-bis(azanyl)benzene-1,4-dicarboxylate
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Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3
InChIKey KMKCBOQRRWZRII-UHFFFAOYSA-N
Molecular Weight 252.270 g/mol
SMILES Nc1cc(c(cc1C(=O)OCC)N)C(OCC)=O
SPLASH splash10-0udi-3980000000-a830718bdf76ad6db843
Source of Spectrum JX-2015-1-738
Wiley ID 1721525