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5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID DhsDcIwVn4x
InChI InChI=1S/C16H13N5O3S/c1-24-14-7-3-5-12(9-14)15-18-19-16(25)20(15)17-10-11-4-2-6-13(8-11)21(22)23/h2-10H,1H3,(H,19,25)/b17-10+
InChIKey VHPSGKACHUONMI-LICLKQGHSA-N
Mol Weight 355.37 g/mol
Molecular Formula C16H13N5O3S
Exact Mass 355.07391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kYpnPABkJz
Name 5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-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/C16H13N5O3S/c1-24-14-7-3-5-12(9-14)15-18-19-16(25)20(15)17-10-11-4-2-6-13(8-11)21(22)23/h2-10H,1H3,(H,19,25)/b17-10+
InChIKey VHPSGKACHUONMI-LICLKQGHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5470
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: D25246; Labnumber: GRES-03300; SBI_ID: SBI-005472
Synonyms 5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methoxyphenyl)-4-{[(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C