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N-(4-sec-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9xmsQp2qQEe
InChI InChI=1S/C31H36N4OS/c1-7-22(3)23-12-16-26(17-13-23)32-28(36)20-37-30-34-33-29(35(30)27-18-8-21(2)9-19-27)24-10-14-25(15-11-24)31(4,5)6/h8-19,22H,7,20H2,1-6H3,(H,32,36)
InChIKey ITBLSWUPDDSXBM-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C31H36N4OS
Exact Mass 512.260983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1gmWbQxqNlz
Name N-(4-sec-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C31H36N4OS/c1-7-22(3)23-12-16-26(17-13-23)32-28(36)20-37-30-34-33-29(35(30)27-18-8-21(2)9-19-27)24-10-14-25(15-11-24)31(4,5)6/h8-19,22H,7,20H2,1-6H3,(H,32,36)
InChIKey ITBLSWUPDDSXBM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14387
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: D98358; Labnumber: GRES-19784; SBI_ID: SBI-014390
Temperature 308 °C