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4-[((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5mhgZIb4uWA
InChI InChI=1S/C11H9N7O3S/c19-18(20)8-3-13-16(5-8)6-10-2-1-9(21-10)4-14-17-7-12-15-11(17)22/h1-5,7H,6H2,(H,15,22)/b14-4+
InChIKey WWWHIUDXGAZUTK-LNKIKWGQSA-N
Mol Weight 319.3 g/mol
Molecular Formula C11H9N7O3S
Exact Mass 319.048758 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2P7lSe09LCp
Name 4-[((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
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/C11H9N7O3S/c19-18(20)8-3-13-16(5-8)6-10-2-1-9(21-10)4-14-17-7-12-15-11(17)22/h1-5,7H,6H2,(H,15,22)/b14-4+
InChIKey WWWHIUDXGAZUTK-LNKIKWGQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29799
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: 1277841; SBI_ID: SBI-029803
Synonyms 4-[((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Temperature 318 °C