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benzoic acid, 4-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]methylamino]carbonothioyl]amino]-, methyl ester

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benzoic acid, 4-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]methylamino]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID 8exJNWuL0pv
InChI InChI=1S/C22H21N3O3S/c1-24(22(29)23-18-8-6-15(7-9-18)21(27)28-2)13-17-12-16-5-3-4-14-10-11-25(19(14)16)20(17)26/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)
InChIKey OBQGRTCUOFBRPU-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FiWTcd6jfOW
Name benzoic acid, 4-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)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/C22H21N3O3S/c1-24(22(29)23-18-8-6-15(7-9-18)21(27)28-2)13-17-12-16-5-3-4-14-10-11-25(19(14)16)20(17)26/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)
InChIKey OBQGRTCUOFBRPU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9679
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: F36112; Labnumber: NNA-V-24922