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N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 6JTG0KHHJkJ
InChI InChI=1S/C27H25BrF2N4OS/c1-16-5-11-20(12-6-16)34-25(17-7-9-18(10-8-17)27(2,3)4)32-33-26(34)36-15-23(35)31-24-21(28)13-19(29)14-22(24)30/h5-14H,15H2,1-4H3,(H,31,35)
InChIKey MVXLSIGMYDPHBJ-UHFFFAOYSA-N
Mol Weight 571.48 g/mol
Molecular Formula C27H25BrF2N4OS
Exact Mass 570.090052 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5F8ValI42ne
Name N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-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/C27H25BrF2N4OS/c1-16-5-11-20(12-6-16)34-25(17-7-9-18(10-8-17)27(2,3)4)32-33-26(34)36-15-23(35)31-24-21(28)13-19(29)14-22(24)30/h5-14H,15H2,1-4H3,(H,31,35)
InChIKey MVXLSIGMYDPHBJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14506
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: D98615; Labnumber: GRES-23669; SBI_ID: SBI-014509
Temperature 308 °C