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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 8sNA4yvflcs
InChI InChI=1S/C21H27N9O2S/c1-29(15-6-4-3-5-7-15)13-17-18(24-28-30(17)20-19(22)26-32-27-20)21(31)25-23-12-14-8-10-16(33-2)11-9-14/h8-12,15H,3-7,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey ZOLXYTNNEYQDIO-FSJBWODESA-N
Mol Weight 469.57 g/mol
Molecular Formula C21H27N9O2S
Exact Mass 469.200842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ybTUBaVdaP
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H27N9O2S/c1-29(15-6-4-3-5-7-15)13-17-18(24-28-30(17)20-19(22)26-32-27-20)21(31)25-23-12-14-8-10-16(33-2)11-9-14/h8-12,15H,3-7,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey ZOLXYTNNEYQDIO-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3674
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D80052; Labnumber: NIG2-0850; SBI_ID: SBI-003676
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C