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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID LfSuBzjeuTw
InChI InChI=1S/C19H14ClN9O4S/c20-13-7-6-11(8-14(13)29(31)32)9-22-24-19(30)16-15(10-34-12-4-2-1-3-5-12)28(27-23-16)18-17(21)25-33-26-18/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey FBZUHLCRPYTTGW-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 2LxaMOXddFD
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-5-[(phenylsulfanyl)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/C19H14ClN9O4S/c20-13-7-6-11(8-14(13)29(31)32)9-22-24-19(30)16-15(10-34-12-4-2-1-3-5-12)28(27-23-16)18-17(21)25-33-26-18/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey FBZUHLCRPYTTGW-LSFURLLWSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25181
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: D49327; Labnumber: NIG1-3552; SBI_ID: SBI-025185
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-chloro-3-nitrophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 300 °C