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IMPURITY-I;5-N-BUTYL-4-{4-[2-CHLORO-5-(1-H-TETRAZOLE-5-YL)-1-H-PYRROL-1-YL]-PHENYLMETHYL}-2,4-DIHYDRO-2-(2,6-DICHLOROPHENYL)-3-H,1,2,4-TRIAZOL-3-ONE

View entire compound with spectra: 1 NMR

IMPURITY-I;5-N-BUTYL-4-{4-[2-CHLORO-5-(1-H-TETRAZOLE-5-YL)-1-H-PYRROL-1-YL]-PHENYLMETHYL}-2,4-DIHYDRO-2-(2,6-DICHLOROPHENYL)-3-H,1,2,4-TRIAZOL-3-ONE
SpectraBase Compound ID HL9UwlFPHcu
InChI InChI=1S/C24H21Cl3N8O/c1-2-3-7-21-30-35(22-17(25)5-4-6-18(22)26)24(36)33(21)14-15-8-10-16(11-9-15)34-19(12-13-20(34)27)23-28-31-32-29-23/h4-6,8-13H,2-3,7,14H2,1H3,(H,28,29,31,32)
InChIKey VMSGIDMWJMZRTD-UHFFFAOYSA-N
Mol Weight 543.85 g/mol
Molecular Formula C24H21Cl3N8O
Exact Mass 542.09039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jVgAC3jMjb
Name IMPURITY-I;5-N-BUTYL-4-{4-[2-CHLORO-5-(1-H-TETRAZOLE-5-YL)-1-H-PYRROL-1-YL]-PHENYLMETHYL}-2,4-DIHYDRO-2-(2,6-DICHLOROPHENYL)-3-H,1,2,4-TRIAZOL-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21Cl3N8O
InChI InChI=1S/C24H21Cl3N8O/c1-2-3-7-21-30-35(22-17(25)5-4-6-18(22)26)24(36)33(21)14-15-8-10-16(11-9-15)34-19(12-13-20(34)27)23-28-31-32-29-23/h4-6,8-13H,2-3,7,14H2,1H3,(H,28,29,31,32)
InChIKey VMSGIDMWJMZRTD-UHFFFAOYSA-N
Literature Reference Author T.GAO,Y.LIU,Y.JI,X.WU,J.XU
Literature Reference Citation J.PHARM.BIOM.ANAL.,66,381(2012)
Literature Reference DOI 10.1016/j.jpba.2012.03.031
Molecular Weight 543.843 g/mol
Solvent CDCl3
Source File Reference UWMZ44082