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4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 2GfYT2iUnI3
InChI InChI=1S/C16H13BrN4S/c1-11-4-2-6-13(8-11)15-19-20-16(22)21(15)18-10-12-5-3-7-14(17)9-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey HBAGGUVKZBRULM-VCHYOVAHSA-N
Mol Weight 373.27 g/mol
Molecular Formula C16H13BrN4S
Exact Mass 372.004431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9bsIfvXQk7x
Name 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-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/C16H13BrN4S/c1-11-4-2-6-13(8-11)15-19-20-16(22)21(15)18-10-12-5-3-7-14(17)9-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey HBAGGUVKZBRULM-VCHYOVAHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16828
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: D25043; Labnumber: GRES-03068; SBI_ID: SBI-016831
Synonyms 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C