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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID FZJFj0TySRB
InChI InChI=1S/C30H34N4OS/c1-7-22-10-8-9-21(3)27(22)31-26(35)19-36-29-33-32-28(34(29)25-17-11-20(2)12-18-25)23-13-15-24(16-14-23)30(4,5)6/h8-18H,7,19H2,1-6H3,(H,31,35)
InChIKey XHZMJHVSWOJAPU-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H34N4OS
Exact Mass 498.245333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LYCvdyWD7z
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)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/C30H34N4OS/c1-7-22-10-8-9-21(3)27(22)31-26(35)19-36-29-33-32-28(34(29)25-17-11-20(2)12-18-25)23-13-15-24(16-14-23)30(4,5)6/h8-18H,7,19H2,1-6H3,(H,31,35)
InChIKey XHZMJHVSWOJAPU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14404
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: D98389; Labnumber: GRES-20223; SBI_ID: SBI-014407
Temperature 308 °C