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2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide

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2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID J1gFn4YXKlP
InChI InChI=1S/C26H31N5O3S/c1-18-9-11-19(12-10-18)25-29-30-26(31(25)21-7-5-4-6-8-21)35-17-24(32)28-27-16-20-15-22(33-2)13-14-23(20)34-3/h9-16,21H,4-8,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey SZUQNAGEQMIPCD-JVWAILMASA-N
Mol Weight 493.63 g/mol
Molecular Formula C26H31N5O3S
Exact Mass 493.214761 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tddyqafGci
Name 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
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/C26H31N5O3S/c1-18-9-11-19(12-10-18)25-29-30-26(31(25)21-7-5-4-6-8-21)35-17-24(32)28-27-16-20-15-22(33-2)13-14-23(20)34-3/h9-16,21H,4-8,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey SZUQNAGEQMIPCD-JVWAILMASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16744
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: D24398; Labnumber: GRES-02376; SBI_ID: SBI-016747
Synonyms 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Temperature 318 °C