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(8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

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(8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
SpectraBase Compound ID 440gKXHpNsm
InChI InChI=1S/C18H17N5S/c1-2-23-5-3-13-14(7-19)17(22)18(10-20,11-21)16(15(13)8-23)12-4-6-24-9-12/h3-4,6,9,15-16H,2,5,8,22H2,1H3
InChIKey WRWSKWAELGNZRB-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C18H17N5S
Exact Mass 335.120467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9h95ktnkd8Z
Name 5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2-ethyl-2,3,8,8a-tetrahydro-8-(3-thienyl)-
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/C18H17N5S/c1-2-23-5-3-13-14(7-19)17(22)18(10-20,11-21)16(15(13)8-23)12-4-6-24-9-12/h3-4,6,9,15-16H,2,5,8,22H2,1H3
InChIKey WRWSKWAELGNZRB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_7348
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: ZI/7131788; Labnumber: AK-777/37037076; IOH_ID: IOH-014352
Temperature 303 °C