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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide
SpectraBase Compound ID CflKl1u6VaG
InChI InChI=1S/C20H17BrF2N4OS/c1-3-8-27-19(13-6-4-12(2)5-7-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-7,9-10H,1,8,11H2,2H3,(H,24,28)
InChIKey PDGVZABWXKLFAQ-UHFFFAOYSA-N
Mol Weight 479.34 g/mol
Molecular Formula C20H17BrF2N4OS
Exact Mass 478.027452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANiiI7NUm9a
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)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/C20H17BrF2N4OS/c1-3-8-27-19(13-6-4-12(2)5-7-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-7,9-10H,1,8,11H2,2H3,(H,24,28)
InChIKey PDGVZABWXKLFAQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4429
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: D98998; Labnumber: GRES-29783; SBI_ID: SBI-004431
Temperature 308 °C