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5-(4-CARBOXYPHENYL)-6-(3,4-DICHLOROPHENYLMETHYL)-AMINO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID I86byoRqBrm
InChI InChI=1S/C19H13Cl2N5O2/c20-14-6-1-11(7-15(14)21)8-22-16-9-23-19-24-10-25-26(19)17(16)12-2-4-13(5-3-12)18(27)28/h1-7,9-10,22H,8H2,(H,27,28)
InChIKey VJHXELSGSTUSKI-UHFFFAOYSA-N
Mol Weight 414.25 g/mol
Molecular Formula C19H13Cl2N5O2
Exact Mass 413.04463 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lSKKUL2T4W
Name 5-(4-CARBOXYPHENYL)-6-(3,4-DICHLOROPHENYLMETHYL)-AMINO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13Cl2N5O2
InChI InChI=1S/C19H13Cl2N5O2/c20-14-6-1-11(7-15(14)21)8-22-16-9-23-19-24-10-25-26(19)17(16)12-2-4-13(5-3-12)18(27)28/h1-7,9-10,22H,8H2,(H,27,28)
InChIKey VJHXELSGSTUSKI-UHFFFAOYSA-N
Literature Reference Author A.SALGADO,C.VARELA,A.M.G.COLLAZO,P.PEVARELLO
Literature Reference Citation MAGN.RES.CHEM.,48,614(2010)
Solvent DMSO-D6
Source File Reference UWIR16717