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benzoic acid, 4-[[[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID CB9t0kukyUP
InChI InChI=1S/C19H19BrN2O4S/c1-11(2)26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)13-6-9-16(25-3)15(20)10-13/h4-11H,1-3H3,(H2,21,22,23,27)
InChIKey XGWGIFLNPREJPJ-UHFFFAOYSA-N
Mol Weight 451.34 g/mol
Molecular Formula C19H19BrN2O4S
Exact Mass 450.024891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2DuM2Ne3bRv
Name benzoic acid, 4-[[[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl]amino]-, 1-methylethyl 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 450.024891270 u
Formula C19H19BrN2O4S
InChI InChI=1S/C19H19BrN2O4S/c1-11(2)26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)13-6-9-16(25-3)15(20)10-13/h4-11H,1-3H3,(H2,21,22,23,27)
InChIKey XGWGIFLNPREJPJ-UHFFFAOYSA-N
Molecular Weight 451.335 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17260
Solvent DMSO-d6
Source Vendor ID: NMR/10322748; Lab Info: LP; Lab Number: LP-3400350