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5-(3-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID xS1RZTxWVR
InChI InChI=1S/C21H24N4OS/c1-3-4-5-13-26-19-11-9-17(10-12-19)15-22-25-20(23-24-21(25)27)18-8-6-7-16(2)14-18/h6-12,14-15H,3-5,13H2,1-2H3,(H,24,27)/b22-15+
InChIKey LFFUHOUFVQWCEG-PXLXIMEGSA-N
Mol Weight 380.51 g/mol
Molecular Formula C21H24N4OS
Exact Mass 380.167083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19HMdAQd7n0
Name 5-(3-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C21H24N4OS/c1-3-4-5-13-26-19-11-9-17(10-12-19)15-22-25-20(23-24-21(25)27)18-8-6-7-16(2)14-18/h6-12,14-15H,3-5,13H2,1-2H3,(H,24,27)/b22-15+
InChIKey LFFUHOUFVQWCEG-PXLXIMEGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5434
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: D25125; Labnumber: GRES-03157; SBI_ID: SBI-005436
Synonyms 5-(3-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol5-(3-methylphenyl)-4-({[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C