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benzoic acid, 4-bromo-, 2-[[[4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl]sulfonyl](4-methylphenyl)amino]ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-bromo-, 2-[[[4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl]sulfonyl](4-methylphenyl)amino]ethyl ester
SpectraBase Compound ID 8OV2xtlKRBg
InChI InChI=1S/C29H24BrN3O6S2/c1-20-6-14-24(15-7-20)33(18-19-39-29(34)21-8-10-22(30)11-9-21)41(37,38)25-16-12-23(13-17-25)31-28-26-4-2-3-5-27(26)40(35,36)32-28/h2-17H,18-19H2,1H3,(H,31,32)
InChIKey QXGNSXVAEOGSCV-UHFFFAOYSA-N
Mol Weight 654.55 g/mol
Molecular Formula C29H24BrN3O6S2
Exact Mass 653.028991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99YCYp5VGNE
Name benzoic acid, 4-bromo-, 2-[[[4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl]sulfonyl](4-methylphenyl)amino]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 653.028990847 u
Formula C29H24BrN3O6S2
InChI InChI=1S/C29H24BrN3O6S2/c1-20-6-14-24(15-7-20)33(18-19-39-29(34)21-8-10-22(30)11-9-21)41(37,38)25-16-12-23(13-17-25)31-28-26-4-2-3-5-27(26)40(35,36)32-28/h2-17H,18-19H2,1H3,(H,31,32)
InChIKey QXGNSXVAEOGSCV-UHFFFAOYSA-N
Molecular Weight 654.550 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2653
Solvent DMSO-d6
Source Vendor ID: ZI/8162393; Lab Info: LP; Lab Number: LP-1900602
Temperature 29.85 °C