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N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5LRZEWgRFtI
InChI InChI=1S/C21H13Br2F2N5OS/c22-13-1-3-15(4-2-13)30-20(12-5-7-26-8-6-12)28-29-21(30)32-11-18(31)27-19-16(23)9-14(24)10-17(19)25/h1-10H,11H2,(H,27,31)
InChIKey DAVDTKUEJNJZKJ-UHFFFAOYSA-N
Mol Weight 581.23 g/mol
Molecular Formula C21H13Br2F2N5OS
Exact Mass 578.917564 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3b5lHO50KVe
Name N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-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/C21H13Br2F2N5OS/c22-13-1-3-15(4-2-13)30-20(12-5-7-26-8-6-12)28-29-21(30)32-11-18(31)27-19-16(23)9-14(24)10-17(19)25/h1-10H,11H2,(H,27,31)
InChIKey DAVDTKUEJNJZKJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19303
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: D13298; Labnumber: GRES-04723; SBI_ID: SBI-019306
Temperature 315 °C