| 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)
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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 |
| Alternate Name(s) | 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)- |
| 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 |
| Wiley ID | 1426117 |