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6-amino-2-ethyl-8-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

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6-amino-2-ethyl-8-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
SpectraBase Compound ID DjHRA1VUKkD
InChI InChI=1S/C21H21N5O/c1-3-26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-4-6-15(27-2)7-5-14/h4-8,18-19H,3,9,11,25H2,1-2H3
InChIKey JPLYJWOJPPJXTE-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C21H21N5O
Exact Mass 359.17461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jku5BUUXsXT
Name 6-amino-2-ethyl-8-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(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/C21H21N5O/c1-3-26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-4-6-15(27-2)7-5-14/h4-8,18-19H,3,9,11,25H2,1-2H3
InChIKey JPLYJWOJPPJXTE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9242
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: N11652; Labnumber: MOR-2695; VK_ID: VK-009246
Temperature 318 °C