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3-[(2-chlorobenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
SpectraBase Compound ID D21KRVMDZzg
InChI InChI=1S/C24H21ClN2S/c1-16-10-12-17(13-11-16)23-20-8-4-3-7-19(20)21(14-26)24(27-23)28-15-18-6-2-5-9-22(18)25/h2,5-6,9-13H,3-4,7-8,15H2,1H3
InChIKey INAHSIUKQKWQMD-UHFFFAOYSA-N
Mol Weight 404.96 g/mol
Molecular Formula C24H21ClN2S
Exact Mass 404.111398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6q945VDnJS1
Name 3-[(2-chlorobenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
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/C24H21ClN2S/c1-16-10-12-17(13-11-16)23-20-8-4-3-7-19(20)21(14-26)24(27-23)28-15-18-6-2-5-9-22(18)25/h2,5-6,9-13H,3-4,7-8,15H2,1H3
InChIKey INAHSIUKQKWQMD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7497
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: D29944; Labnumber: SHEL-0069; SBI_ID: SBI-007500
Temperature 308 °C