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2-{[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID FdTA3lWHDU7
InChI InChI=1S/C22H16F4N4O2S/c23-18-9-2-1-8-17(18)20-28-29-21(30(20)12-16-7-4-10-32-16)33-13-19(31)27-15-6-3-5-14(11-15)22(24,25)26/h1-11H,12-13H2,(H,27,31)
InChIKey MXZYKIQYMBKKGU-UHFFFAOYSA-N
Mol Weight 476.45 g/mol
Molecular Formula C22H16F4N4O2S
Exact Mass 476.09301 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GC0SpQf7Aju
Name 2-{[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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/C22H16F4N4O2S/c23-18-9-2-1-8-17(18)20-28-29-21(30(20)12-16-7-4-10-32-16)33-13-19(31)27-15-6-3-5-14(11-15)22(24,25)26/h1-11H,12-13H2,(H,27,31)
InChIKey MXZYKIQYMBKKGU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11273
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: E06566; Labnumber: GRES-24816; SBI_ID: SBI-011276
Temperature 308 °C