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5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID I9JEErJvn8M
InChI InChI=1S/C18H22N6OS/c1-3-4-5-10-25-15-8-6-14(7-9-15)12-19-24-17(22-23-18(24)26)16-11-13(2)20-21-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)(H,23,26)/b19-12+
InChIKey UHYBFZPHVSQOST-XDHOZWIPSA-N
Mol Weight 370.48 g/mol
Molecular Formula C18H22N6OS
Exact Mass 370.157581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C9tG4Y95rYc
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[4-(pentyloxy)phenyl]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/C18H22N6OS/c1-3-4-5-10-25-15-8-6-14(7-9-15)12-19-24-17(22-23-18(24)26)16-11-13(2)20-21-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)(H,23,26)/b19-12+
InChIKey UHYBFZPHVSQOST-XDHOZWIPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10545
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: E00603; Labnumber: GRES-16843; SBI_ID: SBI-010548
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-({[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C