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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID iGukppHqDi
InChI InChI=1S/C20H17Cl2N9O2/c1-30(12-6-3-2-4-7-12)11-16-17(25-29-31(16)19-18(23)27-33-28-19)20(32)26-24-10-13-14(21)8-5-9-15(13)22/h2-10H,11H2,1H3,(H2,23,27)(H,26,32)/b24-10+
InChIKey ATSHOHDVFIFVBA-YSURURNPSA-N
Mol Weight 486.32 g/mol
Molecular Formula C20H17Cl2N9O2
Exact Mass 485.088226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASXsUPqF3Ts
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(methylanilino)methyl]-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/C20H17Cl2N9O2/c1-30(12-6-3-2-4-7-12)11-16-17(25-29-31(16)19-18(23)27-33-28-19)20(32)26-24-10-13-14(21)8-5-9-15(13)22/h2-10H,11H2,1H3,(H2,23,27)(H,26,32)/b24-10+
InChIKey ATSHOHDVFIFVBA-YSURURNPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8494
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: E12230; Labnumber: MROZ-1285; SBI_ID: SBI-008497
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2,6-dichlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C