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3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
SpectraBase Compound ID KhR3wt39u56
InChI InChI=1S/C11H5Cl4NO4/c12-6-4-5(7(13)9(15)8(6)14)11(20)16(10(4)19)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey KSJTXWUPXJUJQM-UHFFFAOYSA-N
Mol Weight 357.0 g/mol
Molecular Formula C11H5Cl4NO4
Exact Mass 354.897268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ihPnGwA8XC
Name 3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic 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/C11H5Cl4NO4/c12-6-4-5(7(13)9(15)8(6)14)11(20)16(10(4)19)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey KSJTXWUPXJUJQM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1205
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/7110627; Labnumber: KWN-0001938; IOH_ID: IOH-001206
Temperature 303 °C