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5-N-BUTYL-4-{4-[2-(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

5-N-BUTYL-4-{4-[2-(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 I47qBPvKhLs
InChI InChI=1S/C24H22Cl2N8O/c1-2-3-9-21-29-34(22-18(25)6-4-7-19(22)26)24(35)33(21)15-16-10-12-17(13-11-16)32-14-5-8-20(32)23-27-30-31-28-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,27,28,30,31)
InChIKey HFVYQJNHMBNHQV-UHFFFAOYSA-N
Mol Weight 509.4 g/mol
Molecular Formula C24H22Cl2N8O
Exact Mass 508.129363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8y3F5ApQdNA
Name 5-N-BUTYL-4-{4-[2-(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
Compound Number IB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22Cl2N8O
InChI InChI=1S/C24H22Cl2N8O/c1-2-3-9-21-29-34(22-18(25)6-4-7-19(22)26)24(35)33(21)15-16-10-12-17(13-11-16)32-14-5-8-20(32)23-27-30-31-28-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,27,28,30,31)
InChIKey HFVYQJNHMBNHQV-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 509.398 g/mol
Solvent CDCl3
Source File Reference UWMZ44081