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4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOIC-ACID

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4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOIC-ACID
SpectraBase Compound ID 49kwrHIuTIx
InChI InChI=1S/2C15H15N7O2/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChIKey AMOPDIFCDBJMON-UHFFFAOYSA-N
Mol Weight 650.66 g/mol
Molecular Formula C30H30N14O4
Exact Mass 650.257445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJ3RSoxPfp9
Name 4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30N14O4
InChI InChI=1S/2C15H15N7O2/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChIKey AMOPDIFCDBJMON-UHFFFAOYSA-N
Literature Reference Author N.VALIAEVA,D.BARTLEY,T.KONNO,J.K.COWARD
Literature Reference Citation J.ORG.CHEM.,66,5146(2001)
Literature Reference DOI 10.1021/jo010283t
Molecular Weight 650.660 g/mol
Solvent DMSO-D6
Source File Reference UWLU27210