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N-(4-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID AuXszIHJdSo
InChI InChI=1S/C31H36N4O2S/c1-6-7-8-22-9-15-25(16-10-22)32-28(36)21-38-30-34-33-29(23-11-13-24(14-12-23)31(2,3)4)35(30)26-17-19-27(37-5)20-18-26/h9-20H,6-8,21H2,1-5H3,(H,32,36)
InChIKey IYJPDMHFCOJQEP-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 HMXF8HTPSwT
Name N-(4-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/c1-6-7-8-22-9-15-25(16-10-22)32-28(36)21-38-30-34-33-29(23-11-13-24(14-12-23)31(2,3)4)35(30)26-17-19-27(37-5)20-18-26/h9-20H,6-8,21H2,1-5H3,(H,32,36)
InChIKey IYJPDMHFCOJQEP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11697
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: E08607; Labnumber: GRES-37261; SBI_ID: SBI-011700
Temperature 308 °C