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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Haw4UlvfgcY
InChI InChI=1S/C17H17N11O2S2/c1-27-9-20-23-17(27)32-8-12-13(21-26-28(12)15-14(18)24-30-25-15)16(29)22-19-7-10-3-5-11(31-2)6-4-10/h3-7,9H,8H2,1-2H3,(H2,18,24)(H,22,29)/b19-7+
InChIKey FKEUDAGZSKNKCU-FBCYGCLPSA-N
Mol Weight 471.52 g/mol
Molecular Formula C17H17N11O2S2
Exact Mass 471.100811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hvgg62G3kup
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H17N11O2S2/c1-27-9-20-23-17(27)32-8-12-13(21-26-28(12)15-14(18)24-30-25-15)16(29)22-19-7-10-3-5-11(31-2)6-4-10/h3-7,9H,8H2,1-2H3,(H2,18,24)(H,22,29)/b19-7+
InChIKey FKEUDAGZSKNKCU-FBCYGCLPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3672
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: D80048; Labnumber: NIG2-0837; SBI_ID: SBI-003674
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{[4-(methylsulfanyl)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C