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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 38GqU6vVwEo
InChI InChI=1S/C28H27F3N4O2S/c1-27(2,3)19-10-8-18(9-11-19)25-33-34-26(35(25)22-12-14-23(37-4)15-13-22)38-17-24(36)32-21-7-5-6-20(16-21)28(29,30)31/h5-16H,17H2,1-4H3,(H,32,36)
InChIKey JJPMWXXPOLQQAR-UHFFFAOYSA-N
Mol Weight 540.61 g/mol
Molecular Formula C28H27F3N4O2S
Exact Mass 540.180682 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vPnJDQkZzH
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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/C28H27F3N4O2S/c1-27(2,3)19-10-8-18(9-11-19)25-33-34-26(35(25)22-12-14-23(37-4)15-13-22)38-17-24(36)32-21-7-5-6-20(16-21)28(29,30)31/h5-16H,17H2,1-4H3,(H,32,36)
InChIKey JJPMWXXPOLQQAR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4946
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: E08409; Labnumber: GRES-37027; SBI_ID: SBI-004948
Temperature 308 °C