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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2,3,8,8a-tetrahydro-8-[3-methoxy-4-(1-methylethoxy)phenyl]-2-methyl-, (8S,8aR)-

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5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2,3,8,8a-tetrahydro-8-[3-methoxy-4-(1-methylethoxy)phenyl]-2-methyl-, (8S,8aR)-
SpectraBase Compound ID 1uZHq5TXGCX
InChI InChI=1S/C23H25N5O2/c1-14(2)30-19-6-5-15(9-20(19)29-4)21-18-11-28(3)8-7-16(18)17(10-24)22(27)23(21,12-25)13-26/h5-7,9,14,18,21H,8,11,27H2,1-4H3
InChIKey VDVBWVDRBZPWKZ-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C23H25N5O2
Exact Mass 403.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DG51HyzPMd2
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2,3,8,8a-tetrahydro-8-[3-methoxy-4-(1-methylethoxy)phenyl]-2-methyl-, (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/C23H25N5O2/c1-14(2)30-19-6-5-15(9-20(19)29-4)21-18-11-28(3)8-7-16(18)17(10-24)22(27)23(21,12-25)13-26/h5-7,9,14,18,21H,8,11,27H2,1-4H3
InChIKey VDVBWVDRBZPWKZ-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2827
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/10218464