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N-(2-chloro-4,6-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DCCbJvArIRA
InChI InChI=1S/C26H25ClN4O3S/c1-16-12-17(2)24(22(27)13-16)28-23(32)15-35-26-30-29-25(18-6-5-7-21(14-18)34-4)31(26)19-8-10-20(33-3)11-9-19/h5-14H,15H2,1-4H3,(H,28,32)
InChIKey ZJLCBZLMTGJASO-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 1sQcibrm5FE
Name N-(2-chloro-4,6-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-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/C26H25ClN4O3S/c1-16-12-17(2)24(22(27)13-16)28-23(32)15-35-26-30-29-25(18-6-5-7-21(14-18)34-4)31(26)19-8-10-20(33-3)11-9-19/h5-14H,15H2,1-4H3,(H,28,32)
InChIKey ZJLCBZLMTGJASO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11259
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: E06546; Labnumber: GRES-24497; SBI_ID: SBI-011262
Temperature 315 °C