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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID DwcIJeBaGg5
InChI InChI=1S/C21H23FN4OS/c1-21(2,3)15-7-5-14(6-8-15)19-24-25-20(26(19)4)28-13-18(27)23-17-11-9-16(22)10-12-17/h5-12H,13H2,1-4H3,(H,23,27)
InChIKey VCHSZJWXAODCGJ-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H23FN4OS
Exact Mass 398.157661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K2SdPiUsqoP
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)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/C21H23FN4OS/c1-21(2,3)15-7-5-14(6-8-15)19-24-25-20(26(19)4)28-13-18(27)23-17-11-9-16(22)10-12-17/h5-12H,13H2,1-4H3,(H,23,27)
InChIKey VCHSZJWXAODCGJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4370
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: D98892; Labnumber: GRES-27916; SBI_ID: SBI-004372
Temperature 306 °C