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N-(tert-butyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9oHM6DafVVb
InChI InChI=1S/C20H21FN4OS/c1-20(2,3)22-17(26)13-27-19-24-23-18(14-9-11-15(21)12-10-14)25(19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,26)
InChIKey XPIAEKYLXQBPRW-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C20H21FN4OS
Exact Mass 384.142011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kBMADvy2zD
Name N-(tert-butyl)-2-{[5-(4-fluorophenyl)-4-phenyl-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/C20H21FN4OS/c1-20(2,3)22-17(26)13-27-19-24-23-18(14-9-11-15(21)12-10-14)25(19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,26)
InChIKey XPIAEKYLXQBPRW-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_18080
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: UZI/8052677; Labnumber: STA-0003604; UZI_ID: UZI-018087
Temperature 313 °C