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(+/-)-CIS-3-{4-[4-(2-(1-METHYLPROPYL)-3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4-YL)-PHENYL]-PIPERAZIN-1-YL}-6-{[2-(2,4-DICHLOROPHENYL-2(1H)-1,2,4-TRI

View entire compound with spectra: 1 NMR

(+/-)-CIS-3-{4-[4-(2-(1-METHYLPROPYL)-3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4-YL)-PHENYL]-PIPERAZIN-1-YL}-6-{[2-(2,4-DICHLOROPHENYL-2(1H)-1,2,4-TRI
SpectraBase Compound ID 3IAYIfyxYwC
InChI InChI=1S/C37H38Cl2N8O4S/c1-3-25(2)47-36(48)46(24-42-47)28-7-5-27(6-8-28)43-12-14-44(15-13-43)34-20-52-35-17-29(9-10-31(34)35)49-18-30-19-50-37(51-30,21-45-23-40-22-41-45)32-11-4-26(38)16-33(32)39/h4-11,16-17,20,22-25,30H,3,12-15,18-19,21H2,1-2H3/t25?,30-,37-/m0/s1
InChIKey JJEFTMDTJPFZJO-HEVXGTFBSA-N
Mol Weight 761.7 g/mol
Molecular Formula C37H38Cl2N8O4S
Exact Mass 760.211378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYdj9gzA5eG
Name (+/-)-CIS-3-{4-[4-(2-(1-METHYLPROPYL)-3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4-YL)-PHENYL]-PIPERAZIN-1-YL}-6-{[2-(2,4-DICHLOROPHENYL-2(1H)-1,2,4-TRI
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38Cl2N8O4S
InChI InChI=1S/C37H38Cl2N8O4S/c1-3-25(2)47-36(48)46(24-42-47)28-7-5-27(6-8-28)43-12-14-44(15-13-43)34-20-52-35-17-29(9-10-31(34)35)49-18-30-19-50-37(51-30,21-45-23-40-22-41-45)32-11-4-26(38)16-33(32)39/h4-11,16-17,20,22-25,30H,3,12-15,18-19,21H2,1-2H3/t25?,30-,37-/m0/s1
InChIKey JJEFTMDTJPFZJO-HEVXGTFBSA-N
Literature Reference Author J.BOLOS,S.GUBERT,L.ANGLADA,A.SACRISTAN,J.A.ORTIZ
Literature Reference Citation J.HETCYCL.CHEM.,34,1709(1997)
Literature Reference DOI 10.1002/jhet.5570340611
Molecular Weight 761.726 g/mol
Solvent CDCl3