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2(1H)-isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-8-(3-thienyl)-, 1,1-dimethylethyl ester, (8aR)-

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2(1H)-isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-8-(3-thienyl)-, 1,1-dimethylethyl ester, (8aR)-
SpectraBase Compound ID Dfao8NKbz2F
InChI InChI=1S/C21H21N5O2S/c1-20(2,3)28-19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-29-10-13/h4-5,7,10,16-17H,6,9,25H2,1-3H3
InChIKey JRHZHVGGCZWYHH-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID RG9VtaaCop
Name 2(1H)-isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-8-(3-thienyl)-, 1,1-dimethylethyl ester, (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/C21H21N5O2S/c1-20(2,3)28-19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-29-10-13/h4-5,7,10,16-17H,6,9,25H2,1-3H3
InChIKey JRHZHVGGCZWYHH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_7349
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/7131132; Labnumber: AK-777/36976031; IOH_ID: IOH-014353
Temperature 303 °C