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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID 7sAwxRzmWPh
InChI InChI=1S/C27H27FN4OS/c1-18-5-15-23(16-6-18)32-25(19-7-9-20(10-8-19)27(2,3)4)30-31-26(32)34-17-24(33)29-22-13-11-21(28)12-14-22/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey NKFRTMOFQRFWRZ-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H27FN4OS
Exact Mass 474.188961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9zu7yfCOG0Z
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-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/C27H27FN4OS/c1-18-5-15-23(16-6-18)32-25(19-7-9-20(10-8-19)27(2,3)4)30-31-26(32)34-17-24(33)29-22-13-11-21(28)12-14-22/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey NKFRTMOFQRFWRZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4335
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: D98836; Labnumber: GRES-27080; SBI_ID: SBI-004337
Temperature 306 °C