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benzoic acid, 4-[[[[(1,2-dihydro-1-methyl-2-oxo-3-quinolinyl)methyl]methylamino]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID DbQDwtUvIoj
InChI InChI=1S/C21H21N3O3S/c1-23(21(28)22-17-10-8-14(9-11-17)20(26)27-3)13-16-12-15-6-4-5-7-18(15)24(2)19(16)25/h4-12H,13H2,1-3H3,(H,22,28)
InChIKey XRBSCOZMXLPNSR-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GfODlPGctGM
Name benzoic acid, 4-[[[[(1,2-dihydro-1-methyl-2-oxo-3-quinolinyl)methyl]methylamino]carbonothioyl]amino]-, methyl ester
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/C21H21N3O3S/c1-23(21(28)22-17-10-8-14(9-11-17)20(26)27-3)13-16-12-15-6-4-5-7-18(15)24(2)19(16)25/h4-12H,13H2,1-3H3,(H,22,28)
InChIKey XRBSCOZMXLPNSR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11114
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: F41051; Labnumber: NNA-V-24916
Temperature 315 °C