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N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ECOddNGsVJz
InChI InChI=1S/C28H29BrN4O2S/c1-18-16-21(29)10-15-24(18)30-25(34)17-36-27-32-31-26(19-6-8-20(9-7-19)28(2,3)4)33(27)22-11-13-23(35-5)14-12-22/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey YZYNUERUMQZMEX-UHFFFAOYSA-N
Mol Weight 565.53 g/mol
Molecular Formula C28H29BrN4O2S
Exact Mass 564.11946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHISf69A6SV
Name N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-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/C28H29BrN4O2S/c1-18-16-21(29)10-15-24(18)30-25(34)17-36-27-32-31-26(19-6-8-20(9-7-19)28(2,3)4)33(27)22-11-13-23(35-5)14-12-22/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey YZYNUERUMQZMEX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17411
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: D25592; Labnumber: GRES-04676; SBI_ID: SBI-017414
Temperature 308 °C