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4-{[1,3-dioxo-2-(4-pyridinyl)-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid
SpectraBase Compound ID JtxsbNYJJ8b
InChI InChI=1S/C20H12N2O6S/c23-18-16-6-5-15(29(27,28)14-3-1-12(2-4-14)20(25)26)11-17(16)19(24)22(18)13-7-9-21-10-8-13/h1-11H,(H,25,26)
InChIKey UYKPICCNVBZOQR-UHFFFAOYSA-N
Mol Weight 408.38 g/mol
Molecular Formula C20H12N2O6S
Exact Mass 408.041607 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9pqtWQHPEOU
Name 4-{[1,3-dioxo-2-(4-pyridinyl)-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.041607282 u
Formula C20H12N2O6S
InChI InChI=1S/C20H12N2O6S/c23-18-16-6-5-15(29(27,28)14-3-1-12(2-4-14)20(25)26)11-17(16)19(24)22(18)13-7-9-21-10-8-13/h1-11H,(H,25,26)
InChIKey UYKPICCNVBZOQR-UHFFFAOYSA-N
Molecular Weight 408.384 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_513
Solvent DMSO-d6
Source Vendor ID: NMR/12268342