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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 6awrzsN252y
InChI InChI=1S/C19H14ClN9O4S/c20-12-5-7-13(8-6-12)34-10-15-16(23-27-28(15)18-17(21)25-33-26-18)19(30)24-22-9-11-3-1-2-4-14(11)29(31)32/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey VTDGCRAVCYAPQN-LSFURLLWSA-N
Mol Weight 499.89 g/mol
Molecular Formula C19H14ClN9O4S
Exact Mass 499.057799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18b6TXXjFTD
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)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/C19H14ClN9O4S/c20-12-5-7-13(8-6-12)34-10-15-16(23-27-28(15)18-17(21)25-33-26-18)19(30)24-22-9-11-3-1-2-4-14(11)29(31)32/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey VTDGCRAVCYAPQN-LSFURLLWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28111
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: D80401; Labnumber: NIG2-2657; SBI_ID: SBI-028115
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 308 °C