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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID BVpuRtiyDWh
InChI InChI=1S/C22H25FN4OS/c1-5-27-20(15-6-8-16(9-7-15)22(2,3)4)25-26-21(27)29-14-19(28)24-18-12-10-17(23)11-13-18/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKey KKIPCBGWVJKFOM-UHFFFAOYSA-N
Mol Weight 412.53 g/mol
Molecular Formula C22H25FN4OS
Exact Mass 412.173311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ieYR8nvCte
Name 2-{[5-(4-tert-butylphenyl)-4-ethyl-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/C22H25FN4OS/c1-5-27-20(15-6-8-16(9-7-15)22(2,3)4)25-26-21(27)29-14-19(28)24-18-12-10-17(23)11-13-18/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKey KKIPCBGWVJKFOM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14254
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: D98003; Labnumber: GRES-14213; SBI_ID: SBI-014257
Temperature 308 °C