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N-(2-tert-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FzdohPVIiNU
InChI InChI=1S/C31H36N4O2S/c1-30(2,3)22-14-12-21(13-15-22)28-33-34-29(35(28)23-16-18-24(37-7)19-17-23)38-20-27(36)32-26-11-9-8-10-25(26)31(4,5)6/h8-19H,20H2,1-7H3,(H,32,36)
InChIKey VZABQEHTIHVJBZ-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C31H36N4O2S
Exact Mass 528.255898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AE470NB6726
Name N-(2-tert-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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/C31H36N4O2S/c1-30(2,3)22-14-12-21(13-15-22)28-33-34-29(35(28)23-16-18-24(37-7)19-17-23)38-20-27(36)32-26-11-9-8-10-25(26)31(4,5)6/h8-19H,20H2,1-7H3,(H,32,36)
InChIKey VZABQEHTIHVJBZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4082
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: D98533; Labnumber: GRES-22416; SBI_ID: SBI-004084
Temperature 318 °C