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4-({1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindol-5-yl}sulfonyl)benzoic acid
SpectraBase Compound ID LhMImgUBkNr
InChI InChI=1S/C22H12F3NO7S/c23-22(24,25)33-14-5-3-13(4-6-14)26-19(27)17-10-9-16(11-18(17)20(26)28)34(31,32)15-7-1-12(2-8-15)21(29)30/h1-11H,(H,29,30)
InChIKey HLWCYSFTMDSOLS-UHFFFAOYSA-N
Mol Weight 491.39 g/mol
Molecular Formula C22H12F3NO7S
Exact Mass 491.028657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4CHkZ3ZYTOh
Name 4-({1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindol-5-yl}sulfonyl)benzoic acid
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/C22H12F3NO7S/c23-22(24,25)33-14-5-3-13(4-6-14)26-19(27)17-10-9-16(11-18(17)20(26)28)34(31,32)15-7-1-12(2-8-15)21(29)30/h1-11H,(H,29,30)
InChIKey HLWCYSFTMDSOLS-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3161
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/9072076; Labnumber: LN-Z00012C