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#9B;5-(4-CHLOROBENZYL)-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERIZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

View entire compound with spectra: 1 NMR

#9B;5-(4-CHLOROBENZYL)-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERIZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
SpectraBase Compound ID DX9GysF15nX
InChI InChI=1S/C28H34Cl2N8O2/c29-23-7-3-21(4-8-23)19-25-31-33-27(39)37(25)13-1-11-35-15-17-36(18-16-35)12-2-14-38-26(32-34-28(38)40)20-22-5-9-24(30)10-6-22/h3-10H,1-2,11-20H2,(H,33,39)(H,34,40)
InChIKey ATMBFOVGEBSZSM-UHFFFAOYSA-N
Mol Weight 585.5 g/mol
Molecular Formula C28H34Cl2N8O2
Exact Mass 584.218178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YyjHcBZsPa
Name #9B;5-(4-CHLOROBENZYL)-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERIZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34Cl2N8O2
InChI InChI=1S/C28H34Cl2N8O2/c29-23-7-3-21(4-8-23)19-25-31-33-27(39)37(25)13-1-11-35-15-17-36(18-16-35)12-2-14-38-26(32-34-28(38)40)20-22-5-9-24(30)10-6-22/h3-10H,1-2,11-20H2,(H,33,39)(H,34,40)
InChIKey ATMBFOVGEBSZSM-UHFFFAOYSA-N
Literature Reference Author H.BEKTAS,N.KARAALI,D.SAHIN,A.DEMIRBAS,S.A.KARAOGLU,N.DEMIRBA S
Literature Reference Citation MOLECULES,15,2427(2010)
Literature Reference DOI 10.3390/molecules15042427
Molecular Weight 585.536 g/mol
Sample ID 70254
Solvent DMSO-D6