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1q2MUFGtcLS
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1q2MUFGtcLS
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID DS7KT3fKyMn
InChI InChI=1S/C18H17N11O4S/c1-9(10-3-4-12-13(5-10)32-8-31-12)21-23-17(30)14-11(6-34-18-24-20-7-28(18)2)29(27-22-14)16-15(19)25-33-26-16/h3-5,7H,6,8H2,1-2H3,(H2,19,25)(H,23,30)/b21-9+
InChIKey BUJCVVIKBNZJAG-ZVBGSRNCSA-N
Mol Weight 483.47 g/mol
Molecular Formula C18H17N11O4S
Exact Mass 483.118569 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1q2MUFGtcLS
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H17N11O4S/c1-9(10-3-4-12-13(5-10)32-8-31-12)21-23-17(30)14-11(6-34-18-24-20-7-28(18)2)29(27-22-14)16-15(19)25-33-26-16/h3-5,7H,6,8H2,1-2H3,(H2,19,25)(H,23,30)/b21-9+
InChIKey BUJCVVIKBNZJAG-ZVBGSRNCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13095
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: D79952; Labnumber: NIG2-0231; SBI_ID: SBI-013098
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C
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