For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-2-(phenylmethyl)-, (8S,8aR)-
SpectraBase Compound ID KZdh5y12D0B
InChI InChI=1S/C25H19Cl2N5/c26-21-8-4-7-18(23(21)27)22-20-13-32(12-16-5-2-1-3-6-16)10-9-17(20)19(11-28)24(31)25(22,14-29)15-30/h1-9,20,22H,10,12-13,31H2
InChIKey OEUREKILIVGCPE-UHFFFAOYSA-N
Mol Weight 460.37 g/mol
Molecular Formula C25H19Cl2N5
Exact Mass 459.101751 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AMY6wPlA5aO
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-2-(phenylmethyl)-, (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/C25H19Cl2N5/c26-21-8-4-7-18(23(21)27)22-20-13-32(12-16-5-2-1-3-6-16)10-9-17(20)19(11-28)24(31)25(22,14-29)15-30/h1-9,20,22H,10,12-13,31H2
InChIKey OEUREKILIVGCPE-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6564
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/5636634; IOH_ID: IOH-013568
Temperature 297 °C