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3-quinolinecarbonitrile, 4-(1,3-benzodioxol-5-yl)-2-(ethylthio)-1,4,5,6,7,8-hexahydro-5-oxo-
SpectraBase Compound ID 29SZYfLAFHw
InChI InChI=1S/C19H18N2O3S/c1-2-25-19-12(9-20)17(18-13(21-19)4-3-5-14(18)22)11-6-7-15-16(8-11)24-10-23-15/h6-8,17,21H,2-5,10H2,1H3
InChIKey PBSILTQTRGSCDE-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Wjtz1bj0b6
Name 3-quinolinecarbonitrile, 4-(1,3-benzodioxol-5-yl)-2-(ethylthio)-1,4,5,6,7,8-hexahydro-5-oxo-
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/C19H18N2O3S/c1-2-25-19-12(9-20)17(18-13(21-19)4-3-5-14(18)22)11-6-7-15-16(8-11)24-10-23-15/h6-8,17,21H,2-5,10H2,1H3
InChIKey PBSILTQTRGSCDE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2519
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/11238893