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benzoic acid, 4-(8-(3-bromo-4-methoxyphenyl)-9-cyano-7,8-dihydro-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester

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benzoic acid, 4-(8-(3-bromo-4-methoxyphenyl)-9-cyano-7,8-dihydro-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester
SpectraBase Compound ID EtMcDS79ed8
InChI InChI=1S/C24H22BrN3O4S/c1-3-32-24(30)15-4-7-17(8-5-15)27-13-28-22(29)11-18(19(12-26)23(28)33-14-27)16-6-9-21(31-2)20(25)10-16/h4-10,18H,3,11,13-14H2,1-2H3
InChIKey RARXLLRKEVAXPM-UHFFFAOYSA-N
Mol Weight 528.42 g/mol
Molecular Formula C24H22BrN3O4S
Exact Mass 527.05144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1hYRKbQQPl4
Name benzoic acid, 4-(8-(3-bromo-4-methoxyphenyl)-9-cyano-7,8-dihydro-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl 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 527.051440370 u
Formula C24H22BrN3O4S
InChI InChI=1S/C24H22BrN3O4S/c1-3-32-24(30)15-4-7-17(8-5-15)27-13-28-22(29)11-18(19(12-26)23(28)33-14-27)16-6-9-21(31-2)20(25)10-16/h4-10,18H,3,11,13-14H2,1-2H3
InChIKey RARXLLRKEVAXPM-UHFFFAOYSA-N
Molecular Weight 528.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3744
Solvent DMSO-d6
Source Vendor ID: NMR/13278778