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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kdHFBA5FqD
Name 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CAS Registry Number 69874-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5Cl4NO4
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
Molecular Weight 356.976 g/mol
SMILES OC(CCN1C(c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)=O)=O
SPLASH splash10-03dj-1497000000-c201b856327937df6d9c
Source of Spectrum AD-0-2532-0
Synonyms 3-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)propionic acid 3-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)propanoic acid 3-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)propanoic acid 3-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid 3-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Propanoic acid, 3-(1,3-dihydro-4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)-
Wiley ID 1426117