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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(4-chlorophenyl)-2,3,8,8a-tetrahydro-2-(1-methylethyl)-, (8S,8aR)-
SpectraBase Compound ID GZHbIauNDJj
InChI InChI=1S/C21H20ClN5/c1-13(2)27-8-7-16-17(9-23)20(26)21(11-24,12-25)19(18(16)10-27)14-3-5-15(22)6-4-14/h3-7,13,18-19H,8,10,26H2,1-2H3
InChIKey ABMKNPQFZJTTJU-UHFFFAOYSA-N
Mol Weight 377.88 g/mol
Molecular Formula C21H20ClN5
Exact Mass 377.140723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ym3DVGDOKN
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(4-chlorophenyl)-2,3,8,8a-tetrahydro-2-(1-methylethyl)-, (8S,8aR)-
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/C21H20ClN5/c1-13(2)27-8-7-16-17(9-23)20(26)21(11-24,12-25)19(18(16)10-27)14-3-5-15(22)6-4-14/h3-7,13,18-19H,8,10,26H2,1-2H3
InChIKey ABMKNPQFZJTTJU-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2832
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/10218474