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N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 2zx1C6MaPDQ
InChI InChI=1S/C27H25BrF2N4O2S/c1-27(2,3)17-7-5-16(6-8-17)25-32-33-26(34(25)19-9-11-20(36-4)12-10-19)37-15-23(35)31-24-21(28)13-18(29)14-22(24)30/h5-14H,15H2,1-4H3,(H,31,35)
InChIKey KXZXFLITUYBWCP-UHFFFAOYSA-N
Mol Weight 587.48 g/mol
Molecular Formula C27H25BrF2N4O2S
Exact Mass 586.084967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KjKM5sYXoxt
Name N-(2-bromo-4,6-difluorophenyl)-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/C27H25BrF2N4O2S/c1-27(2,3)17-7-5-16(6-8-17)25-32-33-26(34(25)19-9-11-20(36-4)12-10-19)37-15-23(35)31-24-21(28)13-18(29)14-22(24)30/h5-14H,15H2,1-4H3,(H,31,35)
InChIKey KXZXFLITUYBWCP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17408
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: D25589; Labnumber: GRES-04673; SBI_ID: SBI-017411
Temperature 308 °C