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N(2)-Acetylpteroic acid (p-[(2-Acetamino-4-hydroxypteridin-6-yl)methylamino]benzoic acid)
SpectraBase Compound ID 9v3btj4m4jZ
InChI InChI=1S/C16H14N6O4/c1-8(23)19-16-21-13-12(14(24)22-16)20-11(7-18-13)6-17-10-4-2-9(3-5-10)15(25)26/h2-5,7,17H,6H2,1H3,(H,25,26)(H2,18,19,21,22,23,24)
InChIKey HIASSKCPUBTAFE-UHFFFAOYSA-N
Mol Weight 354.33 g/mol
Molecular Formula C16H14N6O4
Exact Mass 354.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFTEARwJcrk
Name N(2)-Acetylpteroic acid (p-[(2-Acetamino-4-hydroxypteridin-6-yl)methylamino]benzoic acid)
Alternate Name(s) 4-({[2-(acetylamino)-4-oxo-3,4-dihydro-6-pteridinyl]methyl}amino)benzoic acid [1,2,3,4,5,6-13C6]-N(2)-Acetylpteroic acid (p-[(2-Acetamino-4-hydroxypteridin-6-yl)methylamino]benzoic acid) 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid 4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoic acid
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Formula C16H14N6O4
InChI InChI=1S/C16H14N6O4/c1-8(23)19-16-21-13-12(14(24)22-16)20-11(7-18-13)6-17-10-4-2-9(3-5-10)15(25)26/h2-5,7,17H,6H2,1H3,(H,25,26)(H2,18,19,21,22,23,24)
InChIKey HIASSKCPUBTAFE-UHFFFAOYSA-N
Molecular Weight 354.326 g/mol
SMILES N1C(c2nc(cnc2N=C1NC(=O)C)CNc1ccc(C(=O)O)cc1)=O
SPLASH splash10-0fki-0910000000-12330ea473fe92eaff41
Source of Spectrum KC-0-1318-13
Wiley ID 827980