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2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-methoxybenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
SpectraBase Compound ID GxiAVrfKUq
InChI InChI=1S/C21H20N10O4/c1-34-16-9-5-2-6-12(16)10-25-27-21(33)17-15(31(30-26-17)20-18(22)28-35-29-20)11-24-14-8-4-3-7-13(14)19(23)32/h2-10,24H,11H2,1H3,(H2,22,28)(H2,23,32)(H,27,33)/b25-10+
InChIKey MBOBWPZQASZQKF-KIBLKLHPSA-N
Mol Weight 476.46 g/mol
Molecular Formula C21H20N10O4
Exact Mass 476.166899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Saq2UiI41Y
Name 2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-methoxybenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
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/C21H20N10O4/c1-34-16-9-5-2-6-12(16)10-25-27-21(33)17-15(31(30-26-17)20-18(22)28-35-29-20)11-24-14-8-4-3-7-13(14)19(23)32/h2-10,24H,11H2,1H3,(H2,22,28)(H2,23,32)(H,27,33)/b25-10+
InChIKey MBOBWPZQASZQKF-KIBLKLHPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13084
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: D79928; Labnumber: NIG2-0082; SBI_ID: SBI-013087
Synonyms 2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[2-(2-methoxybenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Temperature 315 °C