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3-quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-[[2-hydroxy-3-[(phenylmethyl)sulfonyl]propyl]thio]-
SpectraBase Compound ID IXvxh20LRAi
InChI InChI=1S/C20H22N2O3S2/c21-11-17-10-16-8-4-5-9-19(16)22-20(17)26-12-18(23)14-27(24,25)13-15-6-2-1-3-7-15/h1-3,6-7,10,18,23H,4-5,8-9,12-14H2
InChIKey JYUZEZGEGIZZEK-UHFFFAOYSA-N
Mol Weight 402.53 g/mol
Molecular Formula C20H22N2O3S2
Exact Mass 402.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AxN2EVPkl0
Name 3-quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-[[2-hydroxy-3-[(phenylmethyl)sulfonyl]propyl]thio]-
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/C20H22N2O3S2/c21-11-17-10-16-8-4-5-9-19(16)22-20(17)26-12-18(23)14-27(24,25)13-15-6-2-1-3-7-15/h1-3,6-7,10,18,23H,4-5,8-9,12-14H2
InChIKey JYUZEZGEGIZZEK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5395
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/11288068