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2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID 7l3frPa7ysz
InChI InChI=1S/C11H9ClF3N5OS/c12-6-1-3-7(4-2-6)17-8(21)5-22-10-19-18-9(20(10)16)11(13,14)15/h1-4H,5,16H2,(H,17,21)
InChIKey PCYFTINBZFHCAS-UHFFFAOYSA-N
Mol Weight 351.74 g/mol
Molecular Formula C11H9ClF3N5OS
Exact Mass 351.016843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56mF8TsF8eD
Name 2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)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/C11H9ClF3N5OS/c12-6-1-3-7(4-2-6)17-8(21)5-22-10-19-18-9(20(10)16)11(13,14)15/h1-4H,5,16H2,(H,17,21)
InChIKey PCYFTINBZFHCAS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5894
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: 121790; Labnumber: EX00112114; VK_ID: VK-005897
Temperature 318 °C