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1,4-benzenedicarboxylic acid, 2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID 4lCU9dK5LQV
InChI InChI=1S/C20H20N2O4S/c1-25-18(23)14-7-8-16(19(24)26-2)17(11-14)21-20(27)22-10-9-13-5-3-4-6-15(13)12-22/h3-8,11H,9-10,12H2,1-2H3,(H,21,27)
InChIKey UBGLDMPBZOKFAJ-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C20H20N2O4S
Exact Mass 384.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JhmPhdQC5zy
Name 1,4-benzenedicarboxylic acid, 2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonothioyl]amino]-, dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.114378302 u
Formula C20H20N2O4S
InChI InChI=1S/C20H20N2O4S/c1-25-18(23)14-7-8-16(19(24)26-2)17(11-14)21-20(27)22-10-9-13-5-3-4-6-15(13)12-22/h3-8,11H,9-10,12H2,1-2H3,(H,21,27)
InChIKey UBGLDMPBZOKFAJ-UHFFFAOYSA-N
Molecular Weight 384.450 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1025
Solvent DMSO-d6
Source Vendor ID: NMR/13239610