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N-(4-Carboxybenzoyl)aspartic acid
SpectraBase Compound ID Dqu7y8dGBPz
InChI InChI=1S/C12H11NO7/c14-9(15)5-8(12(19)20)13-10(16)6-1-3-7(4-2-6)11(17)18/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18)(H,19,20)
InChIKey APONIGMUWHCFJQ-UHFFFAOYSA-N
Mol Weight 281.22 g/mol
Molecular Formula C12H11NO7
Exact Mass 281.053552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6mkmlcXtJ3
Name N-(4-Carboxybenzoyl)aspartic acid
Alternate Name(s) 2-(4-Carboxybenzamido)succinic acid 2-[(4-carboxybenzoyl)amino]butanedioic acid 2-[(4-carboxybenzoyl)amino]succinic acid 2-[(4-carboxyphenyl)carbonylamino]butanedioic acid 2-[[(4-carboxyphenyl)-oxomethyl]amino]butanedioic acid
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Formula C12H11NO7
InChI InChI=1S/C12H11NO7/c14-9(15)5-8(12(19)20)13-10(16)6-1-3-7(4-2-6)11(17)18/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18)(H,19,20)
InChIKey APONIGMUWHCFJQ-UHFFFAOYSA-N
Molecular Weight 281.220 g/mol
SMILES N(C(c1ccc(C(=O)O)cc1)=O)C(C(=O)O)CC(=O)O
SPLASH splash10-004i-5910000000-6ad65e584eb5439c3fa3
Source of Spectrum AD-0-2532-0
Wiley ID 1421921