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N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9EDWhmRiw1c
InChI InChI=1S/C27H27BrN4OS/c1-18-16-21(28)14-15-23(18)29-24(33)17-34-26-31-30-25(32(26)22-8-6-5-7-9-22)19-10-12-20(13-11-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey JDDWXKJHYWXXJR-UHFFFAOYSA-N
Mol Weight 535.5 g/mol
Molecular Formula C27H27BrN4OS
Exact Mass 534.108896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NLCc9bgMN7
Name N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-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/C27H27BrN4OS/c1-18-16-21(28)14-15-23(18)29-24(33)17-34-26-31-30-25(32(26)22-8-6-5-7-9-22)19-10-12-20(13-11-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey JDDWXKJHYWXXJR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4930
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: E08389; Labnumber: GRES-37005; SBI_ID: SBI-004932
Temperature 308 °C