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acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-2-quinolinyl]thio]-N-(2,4-dimethylphenyl)-
SpectraBase Compound ID 7ZL2aFgi6th
InChI InChI=1S/C27H25N3O4S/c1-15-6-8-19(16(2)10-15)29-24(32)13-35-27-18(12-28)25(26-20(30-27)4-3-5-21(26)31)17-7-9-22-23(11-17)34-14-33-22/h6-11,25,30H,3-5,13-14H2,1-2H3,(H,29,32)
InChIKey AGWYHGLXBGOZQT-UHFFFAOYSA-N
Mol Weight 487.57 g/mol
Molecular Formula C27H25N3O4S
Exact Mass 487.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQ3OT7bZpod
Name acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-2-quinolinyl]thio]-N-(2,4-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/C27H25N3O4S/c1-15-6-8-19(16(2)10-15)29-24(32)13-35-27-18(12-28)25(26-20(30-27)4-3-5-21(26)31)17-7-9-22-23(11-17)34-14-33-22/h6-11,25,30H,3-5,13-14H2,1-2H3,(H,29,32)
InChIKey AGWYHGLXBGOZQT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2490
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/11238857