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1,3-Benzenedicarboxylic acid, 5-[[(4-amino-1-hydroxy-2-naphthalenyl)carbonyl]ethylamino]-
SpectraBase Compound ID GTob4RqnKfB
InChI InChI=1S/C21H18N2O6/c1-2-23(13-8-11(20(26)27)7-12(9-13)21(28)29)19(25)16-10-17(22)14-5-3-4-6-15(14)18(16)24/h3-10,24H,2,22H2,1H3,(H,26,27)(H,28,29)
InChIKey STCRIRWTDZNMBT-UHFFFAOYSA-N
Mol Weight 394.38 g/mol
Molecular Formula C21H18N2O6
Exact Mass 394.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xLU6JIInB1
Name 1,3-Benzenedicarboxylic acid, 5-[[(4-amino-1-hydroxy-2-naphthalenyl)carbonyl]ethylamino]-
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Formula C21H18N2O6
InChI InChI=1S/C21H18N2O6/c1-2-23(13-8-11(20(26)27)7-12(9-13)21(28)29)19(25)16-10-17(22)14-5-3-4-6-15(14)18(16)24/h3-10,24H,2,22H2,1H3,(H,26,27)(H,28,29)
InChIKey STCRIRWTDZNMBT-UHFFFAOYSA-N
Molecular Weight 394.383 g/mol
SMILES Nc1cc(C(N(c2cc(C(O)=O)cc(c2)C(O)=O)CC)=O)c(c2ccccc12)O
SPLASH splash10-0006-5910000000-a90d8daa03ae5d0fa37f
Source of Spectrum JX-2015-3-1919
Synonyms 5-(4-amino-N-ethyl-1-hydroxy-2-naphthamido)isophthalic acid 5-{[(4-amino-1-hydroxynaphthalen-2-yl)carbonyl](ethyl)amino}benzene-1,3-dicarboxylic acid 5-[[(4-amino-1-hydroxy-2-naphthalenyl)-oxomethyl]-ethylamino]benzene-1,3-dicarboxylic acid 5-[(4-amino-1-hydroxynaphthalene-2-carbonyl)-ethylamino]benzene-1,3-dicarboxylic acid 5-[(4-amino-1-hydroxy-naphthalene-2-carbonyl)-ethyl-amino]benzene-1,3-dicarboxylic acid 5-[(4-azanyl-1-oxidanyl-naphthalen-2-yl)carbonyl-ethyl-amino]benzene-1,3-dicarboxylic acid
Wiley ID 1725380