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N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID H3DuatFYbkG
InChI InChI=1S/C21H21BrF2N4OS/c1-21(2,3)13-7-5-12(6-8-13)19-26-27-20(28(19)4)30-11-17(29)25-18-15(22)9-14(23)10-16(18)24/h5-10H,11H2,1-4H3,(H,25,29)
InChIKey PYSUQEMXRWYHJY-UHFFFAOYSA-N
Mol Weight 495.39 g/mol
Molecular Formula C21H21BrF2N4OS
Exact Mass 494.058752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A3jrk62LUTU
Name N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-tert-butylphenyl)-4-methyl-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/C21H21BrF2N4OS/c1-21(2,3)13-7-5-12(6-8-13)19-26-27-20(28(19)4)30-11-17(29)25-18-15(22)9-14(23)10-16(18)24/h5-10H,11H2,1-4H3,(H,25,29)
InChIKey PYSUQEMXRWYHJY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4060
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: D98491; Labnumber: GRES-21816; SBI_ID: SBI-004062
Temperature 308 °C