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5-(3-chlorophenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID L3ZsT0BYuT0
InChI InChI=1S/C16H13ClN4S/c1-11-4-2-5-12(8-11)10-18-21-15(19-20-16(21)22)13-6-3-7-14(17)9-13/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey CMQIZGPHLQDLQM-VCHYOVAHSA-N
Mol Weight 328.82 g/mol
Molecular Formula C16H13ClN4S
Exact Mass 328.054945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BiMGGX3Dzxh
Name 5-(3-chlorophenyl)-4-{[(E)-(3-methylphenyl)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/C16H13ClN4S/c1-11-4-2-5-12(8-11)10-18-21-15(19-20-16(21)22)13-6-3-7-14(17)9-13/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey CMQIZGPHLQDLQM-VCHYOVAHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16825
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: D25039; Labnumber: GRES-03063; SBI_ID: SBI-016828
Synonyms 5-(3-chlorophenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol5-(3-chlorophenyl)-4-{[(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C