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4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID EfojK5j7K01
InChI InChI=1S/C16H12ClN5O3S/c1-25-14-5-3-2-4-12(14)15-19-20-16(26)21(15)18-9-10-8-11(22(23)24)6-7-13(10)17/h2-9H,1H3,(H,20,26)/b18-9+
InChIKey IPIYSEOOFIFQNE-GIJQJNRQSA-N
Mol Weight 389.82 g/mol
Molecular Formula C16H12ClN5O3S
Exact Mass 389.034938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IwCPWXcgejr
Name 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(2-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/C16H12ClN5O3S/c1-25-14-5-3-2-4-12(14)15-19-20-16(26)21(15)18-9-10-8-11(22(23)24)6-7-13(10)17/h2-9H,1H3,(H,20,26)/b18-9+
InChIKey IPIYSEOOFIFQNE-GIJQJNRQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5455
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: D25196; Labnumber: GRES-03243; SBI_ID: SBI-005457
Synonyms 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2-chloro-5-nitrophenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C