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N-(3-chloro-2-methylphenyl)-2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 14MbFHnNQYh
InChI InChI=1S/C25H22Cl2N4O3S/c1-16-21(27)4-3-5-22(16)28-24(32)15-35-25-30-29-23(14-34-20-10-6-17(26)7-11-20)31(25)18-8-12-19(33-2)13-9-18/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey VWTDLTJZFXNHHW-UHFFFAOYSA-N
Mol Weight 529.44 g/mol
Molecular Formula C25H22Cl2N4O3S
Exact Mass 528.078967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Qt52qDhyMH
Name N-(3-chloro-2-methylphenyl)-2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C25H22Cl2N4O3S/c1-16-21(27)4-3-5-22(16)28-24(32)15-35-25-30-29-23(14-34-20-10-6-17(26)7-11-20)31(25)18-8-12-19(33-2)13-9-18/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey VWTDLTJZFXNHHW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11377
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: E06695; Labnumber: GRES-27807; SBI_ID: SBI-011380
Temperature 318 °C