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2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide
SpectraBase Compound ID 8y0Xgy4HsIB
InChI InChI=1S/C19H14BrClF2N4OS/c1-2-7-27-18(12-5-3-4-6-14(12)21)25-26-19(27)29-10-16(28)24-17-13(20)8-11(22)9-15(17)23/h2-6,8-9H,1,7,10H2,(H,24,28)
InChIKey DXAVQHABJBVFGM-UHFFFAOYSA-N
Mol Weight 499.76 g/mol
Molecular Formula C19H14BrClF2N4OS
Exact Mass 497.972829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fxxp9PaFGri
Name 2-{[4-allyl-5-(2-chlorophenyl)-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/C19H14BrClF2N4OS/c1-2-7-27-18(12-5-3-4-6-14(12)21)25-26-19(27)29-10-16(28)24-17-13(20)8-11(22)9-15(17)23/h2-6,8-9H,1,7,10H2,(H,24,28)
InChIKey DXAVQHABJBVFGM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4516
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: D99085; Labnumber: GRES-31183; SBI_ID: SBI-004518
Temperature 315 °C