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N-(2-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(2-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3Mm2BfTLDt4
InChI InChI=1S/C25H23BrN4O3S/c1-3-33-20-14-10-18(11-15-20)30-24(17-8-12-19(32-2)13-9-17)28-29-25(30)34-16-23(31)27-22-7-5-4-6-21(22)26/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey XFKQNFJFPDPJES-UHFFFAOYSA-N
Mol Weight 539.45 g/mol
Molecular Formula C25H23BrN4O3S
Exact Mass 538.067425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AuvO8tYiFAf
Name N-(2-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(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/C25H23BrN4O3S/c1-3-33-20-14-10-18(11-15-20)30-24(17-8-12-19(32-2)13-9-17)28-29-25(30)34-16-23(31)27-22-7-5-4-6-21(22)26/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey XFKQNFJFPDPJES-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4390
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: D98931; Labnumber: GRES-28675; SBI_ID: SBI-004392
Temperature 306 °C