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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(3,4-dichlorophenyl)-2,3,8,8a-tetrahydro-2-propyl-, (8R,8aS)-

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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(3,4-dichlorophenyl)-2,3,8,8a-tetrahydro-2-propyl-, (8R,8aS)-
SpectraBase Compound ID ZI4bkZnerg
InChI InChI=1S/C21H19Cl2N5/c1-2-6-28-7-5-14-15(9-24)20(27)21(11-25,12-26)19(16(14)10-28)13-3-4-17(22)18(23)8-13/h3-5,8,16,19H,2,6-7,10,27H2,1H3
InChIKey ABYFJOLPWYETBB-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 FWMLLDBvn3v
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(3,4-dichlorophenyl)-2,3,8,8a-tetrahydro-2-propyl-, (8R,8aS)-
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/c1-2-6-28-7-5-14-15(9-24)20(27)21(11-25,12-26)19(16(14)10-28)13-3-4-17(22)18(23)8-13/h3-5,8,16,19H,2,6-7,10,27H2,1H3
InChIKey ABYFJOLPWYETBB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2985
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: ZID/5022439; Labnumber: TSH-2-122; IOH_ID: IOH-009988