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3-quinolinecarbonitrile, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-[(phenylmethyl)thio]-
SpectraBase Compound ID FnJbN2xdLQF
InChI InChI=1S/C25H23ClN2OS/c1-25(2)12-20-23(21(29)13-25)22(17-8-10-18(26)11-9-17)19(14-27)24(28-20)30-15-16-6-4-3-5-7-16/h3-11,22,28H,12-13,15H2,1-2H3
InChIKey RFKWXCHJPKUYSK-UHFFFAOYSA-N
Mol Weight 434.99 g/mol
Molecular Formula C25H23ClN2OS
Exact Mass 434.121962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ecnQcQNOIv
Name 3-quinolinecarbonitrile, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-[(phenylmethyl)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/C25H23ClN2OS/c1-25(2)12-20-23(21(29)13-25)22(17-8-10-18(26)11-9-17)19(14-27)24(28-20)30-15-16-6-4-3-5-7-16/h3-11,22,28H,12-13,15H2,1-2H3
InChIKey RFKWXCHJPKUYSK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2135
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/11238414