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benzoic acid, 5-[[[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl]amino]-2-chloro-, propyl ester
SpectraBase Compound ID wtNrK3TipH
InChI InChI=1S/C19H18BrClN2O4S/c1-3-8-27-18(25)13-10-12(5-6-15(13)21)22-19(28)23-17(24)11-4-7-16(26-2)14(20)9-11/h4-7,9-10H,3,8H2,1-2H3,(H2,22,23,24,28)
InChIKey PDCQHOSTNXNSNJ-UHFFFAOYSA-N
Mol Weight 485.78 g/mol
Molecular Formula C19H18BrClN2O4S
Exact Mass 483.985919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5671tNJPHvK
Name benzoic acid, 5-[[[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl]amino]-2-chloro-, propyl 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 483.985918938 u
Formula C19H18BrClN2O4S
InChI InChI=1S/C19H18BrClN2O4S/c1-3-8-27-18(25)13-10-12(5-6-15(13)21)22-19(28)23-17(24)11-4-7-16(26-2)14(20)9-11/h4-7,9-10H,3,8H2,1-2H3,(H2,22,23,24,28)
InChIKey PDCQHOSTNXNSNJ-UHFFFAOYSA-N
Molecular Weight 485.780 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17261
Solvent DMSO-d6
Source Vendor ID: NMR/10322749; Lab Info: LP; Lab Number: LP-3400351