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N-(4-chloro-2-methylphenyl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID LYDaENCi9ts
InChI InChI=1S/C26H25ClN4O3S/c1-17-4-9-22(10-5-17)34-15-24-29-30-26(31(24)20-7-11-21(33-3)12-8-20)35-16-25(32)28-23-13-6-19(27)14-18(23)2/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey SWDZTFBBVBFKIO-UHFFFAOYSA-N
Mol Weight 509.02 g/mol
Molecular Formula C26H25ClN4O3S
Exact Mass 508.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5lDPLS8Z9BY
Name N-(4-chloro-2-methylphenyl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-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/C26H25ClN4O3S/c1-17-4-9-22(10-5-17)34-15-24-29-30-26(31(24)20-7-11-21(33-3)12-8-20)35-16-25(32)28-23-13-6-19(27)14-18(23)2/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey SWDZTFBBVBFKIO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11128
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: E06125; Labnumber: GRES-16542; SBI_ID: SBI-011131
Temperature 306 °C