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4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Ksfmda3R3Em
InChI InChI=1S/C18H12Cl2N6S/c19-13-8-4-7-12(16(13)20)10-21-26-17(24-25-18(26)27)15-9-14(22-23-15)11-5-2-1-3-6-11/h1-10H,(H,22,23)(H,25,27)/b21-10+
InChIKey ROAOSRSSEDSTJF-UFFVCSGVSA-N
Mol Weight 415.3 g/mol
Molecular Formula C18H12Cl2N6S
Exact Mass 414.022121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JcVk3u4FBrt
Name 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-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/C18H12Cl2N6S/c19-13-8-4-7-12(16(13)20)10-21-26-17(24-25-18(26)27)15-9-14(22-23-15)11-5-2-1-3-6-11/h1-10H,(H,22,23)(H,25,27)/b21-10+
InChIKey ROAOSRSSEDSTJF-UFFVCSGVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10506
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: E00540; Labnumber: GRES-11835; SBI_ID: SBI-010509
Synonyms 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,3-dichlorophenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C