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methyl 2-[(3,4-dihydro-2(1H)-isoquinolinylcarbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FTp14YQbtWJ
InChI InChI=1S/C21H24N2O2S2/c1-13-7-8-16-17(11-13)27-19(18(16)20(24)25-2)22-21(26)23-10-9-14-5-3-4-6-15(14)12-23/h3-6,13H,7-12H2,1-2H3,(H,22,26)
InChIKey VVVDODNLTXFGJC-UHFFFAOYSA-N
Mol Weight 400.56 g/mol
Molecular Formula C21H24N2O2S2
Exact Mass 400.12792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Sqs3uP13D9
Name methyl 2-[(3,4-dihydro-2(1H)-isoquinolinylcarbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H24N2O2S2/c1-13-7-8-16-17(11-13)27-19(18(16)20(24)25-2)22-21(26)23-10-9-14-5-3-4-6-15(14)12-23/h3-6,13H,7-12H2,1-2H3,(H,22,26)
InChIKey VVVDODNLTXFGJC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8275
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/1268973; Labnumber: COL7336; UZI_ID: UZI-008277
Temperature 306 °C