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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2,3,8,8a-tetrahydro-8-phenyl-2-(phenylmethyl)-, (8R,8aS)-
SpectraBase Compound ID K9xOT1aXL8Z
InChI InChI=1S/C25H21N5/c26-13-21-20-11-12-30(14-18-7-3-1-4-8-18)15-22(20)23(19-9-5-2-6-10-19)25(16-27,17-28)24(21)29/h1-11,22-23H,12,14-15,29H2
InChIKey QOWYBPOPEWEFLR-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C25H21N5
Exact Mass 391.179696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FHZnkbqgB2
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2,3,8,8a-tetrahydro-8-phenyl-2-(phenylmethyl)-, (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/C25H21N5/c26-13-21-20-11-12-30(14-18-7-3-1-4-8-18)15-22(20)23(19-9-5-2-6-10-19)25(16-27,17-28)24(21)29/h1-11,22-23H,12,14-15,29H2
InChIKey QOWYBPOPEWEFLR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5559
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: AG-205/5022440; Labnumber: TSH-2-123; IOH_ID: IOH-012562