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2-[({4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl benzoate
SpectraBase Compound ID 5TyJwMd64K1
InChI InChI=1S/C29H25N3O6S2/c1-21-11-15-24(16-12-21)32(19-20-38-29(33)22-7-3-2-4-8-22)40(36,37)25-17-13-23(14-18-25)30-28-26-9-5-6-10-27(26)39(34,35)31-28/h2-18H,19-20H2,1H3,(H,30,31)
InChIKey DTDJZRZFPOWJJR-UHFFFAOYSA-N
Mol Weight 575.65 g/mol
Molecular Formula C29H25N3O6S2
Exact Mass 575.118478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FVYWFmwW4U
Name 2-[({4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl benzoate
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/C29H25N3O6S2/c1-21-11-15-24(16-12-21)32(19-20-38-29(33)22-7-3-2-4-8-22)40(36,37)25-17-13-23(14-18-25)30-28-26-9-5-6-10-27(26)39(34,35)31-28/h2-18H,19-20H2,1H3,(H,30,31)
InChIKey DTDJZRZFPOWJJR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3595
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: ZI/7081099; Labnumber: LP-1900303; IOH_ID: IOH-003596
Temperature 303 °C