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6-amino-2-propyl-8-[3-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydro-5,5,7(1H)-isoquinolinetricarbonitrile
SpectraBase Compound ID 5gCeSLARL0F
InChI InChI=1S/C22H20F3N5/c1-2-7-30-8-6-18-17(11-30)19(14-4-3-5-15(9-14)22(23,24)25)16(10-26)20(29)21(18,12-27)13-28/h3-6,9,17,19H,2,7-8,11,29H2,1H3
InChIKey PDFACFCEWVRGKX-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C22H20F3N5
Exact Mass 411.16708 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IfIWreivFjQ
Name 6-amino-2-propyl-8-[3-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydro-5,5,7(1H)-isoquinolinetricarbonitrile
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/C22H20F3N5/c1-2-7-30-8-6-18-17(11-30)19(14-4-3-5-15(9-14)22(23,24)25)16(10-26)20(29)21(18,12-27)13-28/h3-6,9,17,19H,2,7-8,11,29H2,1H3
InChIKey PDFACFCEWVRGKX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15693
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: UZI/8020736; UBI_ID: UBI-015696
Temperature 318 °C