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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(4-fluorophenyl)-2,3,8,8a-tetrahydro-2-propyl-, (8S,8aR)-
SpectraBase Compound ID LPF3d4zQuc4
InChI InChI=1S/C21H20FN5/c1-2-8-27-9-7-16-17(10-23)20(26)21(12-24,13-25)19(18(16)11-27)14-3-5-15(22)6-4-14/h3-7,18-19H,2,8-9,11,26H2,1H3
InChIKey NHUOYIZFSVDWOW-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C21H20FN5
Exact Mass 361.170274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57Tsm8m91Yr
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(4-fluorophenyl)-2,3,8,8a-tetrahydro-2-propyl-, (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/C21H20FN5/c1-2-8-27-9-7-16-17(10-23)20(26)21(12-24,13-25)19(18(16)11-27)14-3-5-15(22)6-4-14/h3-7,18-19H,2,8-9,11,26H2,1H3
InChIKey NHUOYIZFSVDWOW-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2817
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/10218438