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acetamide, 2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)-
SpectraBase Compound ID HA781yLGesF
InChI InChI=1S/C20H22N4OS2/c1-5-8-24-19(16-7-6-9-26-16)22-23-20(24)27-12-17(25)21-18-14(3)10-13(2)11-15(18)4/h5-7,9-11H,1,8,12H2,2-4H3,(H,21,25)
InChIKey YRQAIEREPKGMEJ-UHFFFAOYSA-N
Mol Weight 398.54 g/mol
Molecular Formula C20H22N4OS2
Exact Mass 398.123504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AdZkAUBSRNi
Name acetamide, 2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.123503691 u
Formula C20H22N4OS2
InChI InChI=1S/C20H22N4OS2/c1-5-8-24-19(16-7-6-9-26-16)22-23-20(24)27-12-17(25)21-18-14(3)10-13(2)11-15(18)4/h5-7,9-11H,1,8,12H2,2-4H3,(H,21,25)
InChIKey YRQAIEREPKGMEJ-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17916
Solvent DMSO-d6
Source Vendor ID: NMR/11210020; Lab Info: SAD; Lab Number: 29