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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-2-(1-methylethyl)-, (8R)-
SpectraBase Compound ID B5xZLO48bwh
InChI InChI=1S/C21H19Cl2N5/c1-12(2)28-7-6-13-15(8-24)20(27)21(10-25,11-26)18(16(13)9-28)14-4-3-5-17(22)19(14)23/h3-6,12,16,18H,7,9,27H2,1-2H3
InChIKey VZASTQWZNFOZOM-UHFFFAOYSA-N
Mol Weight 412.32 g/mol
Molecular Formula C21H19Cl2N5
Exact Mass 411.101751 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5DUUPlaqSMY
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-2-(1-methylethyl)-, (8R)-
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/C21H19Cl2N5/c1-12(2)28-7-6-13-15(8-24)20(27)21(10-25,11-26)18(16(13)9-28)14-4-3-5-17(22)19(14)23/h3-6,12,16,18H,7,9,27H2,1-2H3
InChIKey VZASTQWZNFOZOM-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6565
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: TSH/5636636; IOH_ID: IOH-013569
Temperature 297 °C