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N-mesityl-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID CaSv9sRPtJE
InChI InChI=1S/C28H30N4O3S/c1-18-6-10-24(11-7-18)35-16-25-30-31-28(32(25)22-8-12-23(34-5)13-9-22)36-17-26(33)29-27-20(3)14-19(2)15-21(27)4/h6-15H,16-17H2,1-5H3,(H,29,33)
InChIKey CKBPXAAFUWFTHO-UHFFFAOYSA-N
Mol Weight 502.63 g/mol
Molecular Formula C28H30N4O3S
Exact Mass 502.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GGsyXaAvfkL
Name N-mesityl-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-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/C28H30N4O3S/c1-18-6-10-24(11-7-18)35-16-25-30-31-28(32(25)22-8-12-23(34-5)13-9-22)36-17-26(33)29-27-20(3)14-19(2)15-21(27)4/h6-15H,16-17H2,1-5H3,(H,29,33)
InChIKey CKBPXAAFUWFTHO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11354
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: E06666; Labnumber: GRES-27210; SBI_ID: SBI-011357
Temperature 318 °C