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acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)-
SpectraBase Compound ID 5vNm162kC4l
InChI InChI=1S/C23H21N3O4S/c1-13-3-5-16(7-14(13)2)25-22(28)11-31-23-18(10-24)17(9-21(27)26-23)15-4-6-19-20(8-15)30-12-29-19/h3-8,17H,9,11-12H2,1-2H3,(H,25,28)(H,26,27)
InChIKey DCSBQDUOBRAFDR-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C23H21N3O4S
Exact Mass 435.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9l2wRvvt8Z8
Name acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)-
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/C23H21N3O4S/c1-13-3-5-16(7-14(13)2)25-22(28)11-31-23-18(10-24)17(9-21(27)26-23)15-4-6-19-20(8-15)30-12-29-19/h3-8,17H,9,11-12H2,1-2H3,(H,25,28)(H,26,27)
InChIKey DCSBQDUOBRAFDR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2316
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: NMR/11238644