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2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide
SpectraBase Compound ID HZyBOSCK59A
InChI InChI=1S/C20H17BrF2N4OS/c1-3-7-27-19(13-6-4-5-12(2)8-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-6,8-10H,1,7,11H2,2H3,(H,24,28)
InChIKey KNDAEELIJDYQOV-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 BDZ0nxPa8Pr
Name 2-{[4-allyl-5-(3-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/c1-3-7-27-19(13-6-4-5-12(2)8-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-6,8-10H,1,7,11H2,2H3,(H,24,28)
InChIKey KNDAEELIJDYQOV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11076
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: E05765; Labnumber: GRES-09908; SBI_ID: SBI-011079
Temperature 318 °C