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3-quinolinecarbonitrile, 5,6,7,8-tetrahydro-7,7-dimethyl-2-(methylthio)-5-oxo-
SpectraBase Compound ID GThIn8JhQLj
InChI InChI=1S/C13H14N2OS/c1-13(2)5-10-9(11(16)6-13)4-8(7-14)12(15-10)17-3/h4H,5-6H2,1-3H3
InChIKey MSDVAPVFIQZCHY-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMptnR2Vje1
Name 3-quinolinecarbonitrile, 5,6,7,8-tetrahydro-7,7-dimethyl-2-(methylthio)-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/C13H14N2OS/c1-13(2)5-10-9(11(16)6-13)4-8(7-14)12(15-10)17-3/h4H,5-6H2,1-3H3
InChIKey MSDVAPVFIQZCHY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2368
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/11238703