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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 1 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 57w6RGnHmEK
InChI InChI=1S/C21H14N10O6S2/c22-18-19(28-37-27-18)30-13(8-38-21-24-11-3-1-2-4-16(11)39-21)17(25-29-30)20(32)26-23-7-10-5-14-15(36-9-35-14)6-12(10)31(33)34/h1-7H,8-9H2,(H2,22,27)(H,26,32)/b23-7+
InChIKey LITLEZMTPMPUSA-HCGXMYGOSA-N
Mol Weight 566.53 g/mol
Molecular Formula C21H14N10O6S2
Exact Mass 566.053921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9UvqvsQr3n2
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)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/C21H14N10O6S2/c22-18-19(28-37-27-18)30-13(8-38-21-24-11-3-1-2-4-16(11)39-21)17(25-29-30)20(32)26-23-7-10-5-14-15(36-9-35-14)6-12(10)31(33)34/h1-7H,8-9H2,(H2,22,27)(H,26,32)/b23-7+
InChIKey LITLEZMTPMPUSA-HCGXMYGOSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1603
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: UZI/8025080; UBI_ID: UBI-001604
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 313 °C