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4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3rNu6cxmKxu
InChI InChI=1S/C17H15BrN4O2S/c1-23-14-5-3-4-11(9-14)16-20-21-17(25)22(16)19-10-12-8-13(18)6-7-15(12)24-2/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey ZWYKLWVVDJFMTM-VXLYETTFSA-N
Mol Weight 419.3 g/mol
Molecular Formula C17H15BrN4O2S
Exact Mass 418.00991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 581QfPaYHAV
Name 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-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/C17H15BrN4O2S/c1-23-14-5-3-4-11(9-14)16-20-21-17(25)22(16)19-10-12-8-13(18)6-7-15(12)24-2/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey ZWYKLWVVDJFMTM-VXLYETTFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5460
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: D25211; Labnumber: GRES-03262; SBI_ID: SBI-005462
Synonyms 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C