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2-[({4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-chlorobenzoate
SpectraBase Compound ID 3cJTyYu30kD
InChI InChI=1S/C29H24ClN3O6S2/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 YOTWIOXMSCIVBK-UHFFFAOYSA-N
Mol Weight 610.1 g/mol
Molecular Formula C29H24ClN3O6S2
Exact Mass 609.079506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BL0dCpRb8Q
Name 2-[({4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-chlorobenzoate
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/C29H24ClN3O6S2/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 YOTWIOXMSCIVBK-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_354
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/8096928; Labnumber: LP-1900485
Temperature 297 °C