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N-(2-bromo-4,6-difluorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 7L4qiglBdbo
InChI InChI=1S/C18H15BrF2N4OS/c1-10-3-5-11(6-4-10)17-23-24-18(25(17)2)27-9-15(26)22-16-13(19)7-12(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
InChIKey NCDNTCOCELMOKD-UHFFFAOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C18H15BrF2N4OS
Exact Mass 452.011802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFyfe95Owkp
Name N-(2-bromo-4,6-difluorophenyl)-2-{[4-methyl-5-(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/C18H15BrF2N4OS/c1-10-3-5-11(6-4-10)17-23-24-18(25(17)2)27-9-15(26)22-16-13(19)7-12(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
InChIKey NCDNTCOCELMOKD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14353
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: D98247; Labnumber: GRES-17936; SBI_ID: SBI-014356
Temperature 308 °C