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N-(3-chloro-2-methylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CBBGCMeh0hB
InChI InChI=1S/C25H23ClN4O3S/c1-16-21(26)8-5-9-22(16)27-23(31)15-34-25-29-28-24(17-6-4-7-20(14-17)33-3)30(25)18-10-12-19(32-2)13-11-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey KGTVVJWHMYCXBI-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C25H23ClN4O3S
Exact Mass 494.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AennpfHbddt
Name N-(3-chloro-2-methylphenyl)-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/C25H23ClN4O3S/c1-16-21(26)8-5-9-22(16)27-23(31)15-34-25-29-28-24(17-6-4-7-20(14-17)33-3)30(25)18-10-12-19(32-2)13-11-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey KGTVVJWHMYCXBI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11261
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: E06548; Labnumber: GRES-24530; SBI_ID: SBI-011264
Temperature 315 °C