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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 6xU4NgETrvJ
InChI InChI=1S/C20H19N9O2/c1-28(15-10-6-3-7-11-15)13-16-17(23-27-29(16)19-18(21)25-31-26-19)20(30)24-22-12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,25)(H,24,30)/b22-12+
InChIKey IJGKMDFTQYSNCO-WSDLNYQXSA-N
Mol Weight 417.43 g/mol
Molecular Formula C20H19N9O2
Exact Mass 417.166171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID At8kFljLnbq
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-phenylmethylidene]-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/C20H19N9O2/c1-28(15-10-6-3-7-11-15)13-16-17(23-27-29(16)19-18(21)25-31-26-19)20(30)24-22-12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,25)(H,24,30)/b22-12+
InChIKey IJGKMDFTQYSNCO-WSDLNYQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8457
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: E12192; Labnumber: MROZ-1224; SBI_ID: SBI-008460
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C