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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 7unJYMuSlp5
InChI InChI=1S/C21H19N9O4/c1-29(2)14-6-3-12(4-7-14)10-23-25-21(31)17-18(13-5-8-15-16(9-13)33-11-32-15)30(28-24-17)20-19(22)26-34-27-20/h3-10H,11H2,1-2H3,(H2,22,26)(H,25,31)/b23-10+
InChIKey DKURBQZZICRQBT-AUEPDCJTSA-N
Mol Weight 461.44 g/mol
Molecular Formula C21H19N9O4
Exact Mass 461.156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8sagaqYbKQh
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)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/C21H19N9O4/c1-29(2)14-6-3-12(4-7-14)10-23-25-21(31)17-18(13-5-8-15-16(9-13)33-11-32-15)30(28-24-17)20-19(22)26-34-27-20/h3-10H,11H2,1-2H3,(H2,22,26)(H,25,31)/b23-10+
InChIKey DKURBQZZICRQBT-AUEPDCJTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13760
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: D90258; Labnumber: MROZ-1570; SBI_ID: SBI-013763
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C