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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID AJemP2cb5b4
InChI InChI=1S/C21H23FN4OS/c1-21(2,3)15-11-9-14(10-12-15)19-24-25-20(26(19)4)28-13-18(27)23-17-8-6-5-7-16(17)22/h5-12H,13H2,1-4H3,(H,23,27)
InChIKey SIQXSWDSYLQDDS-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 ELvf5OpgNPc
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H23FN4OS/c1-21(2,3)15-11-9-14(10-12-15)19-24-25-20(26(19)4)28-13-18(27)23-17-8-6-5-7-16(17)22/h5-12H,13H2,1-4H3,(H,23,27)
InChIKey SIQXSWDSYLQDDS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14549
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: D98677; Labnumber: GRES-24756; SBI_ID: SBI-014552
Temperature 308 °C