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4-[(2-Amino-4-oxo-3,4-dihydropteridin-6-ylmethyl)-amino]-benzoic acid
SpectraBase Compound ID Ig6JpkTS2Xw
InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C14H12N6O3
Exact Mass 312.097088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFQtLNyyyV6
Name 4-[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YLMETHYL)AMINO]BENZOIC ACID
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Formula C14H12N6O3
InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
Molecular Weight 312.0969
SMILES N1C(N)=Nc2ncc(CNc3ccc(C(O)=O)cc3)nc2C1=O
SPLASH splash10-0006-9400000000-c22b9ca30d6377250335
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany