| SpectraBase Compound ID | 1DtfgV3eg2v |
|---|---|
| InChI | InChI=1S/C21H17Cl4NO4/c1-2-3-4-5-10-30-21(29)11-6-8-12(9-7-11)26-19(27)13-14(20(26)28)16(23)18(25)17(24)15(13)22/h6-9H,2-5,10H2,1H3 |
| InChIKey | AAIIHKACPPHAIB-UHFFFAOYSA-N |
| Mol Weight | 489.2 g/mol |
| Molecular Formula | C21H17Cl4NO4 |
| Exact Mass | 486.991169 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Alzk7popXpu |
|---|---|
| Name | 4-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)benzoic acid hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H17Cl4NO4 |
| InChI | InChI=1S/C21H17Cl4NO4/c1-2-3-4-5-10-30-21(29)11-6-8-12(9-7-11)26-19(27)13-14(20(26)28)16(23)18(25)17(24)15(13)22/h6-9H,2-5,10H2,1H3 |
| InChIKey | AAIIHKACPPHAIB-UHFFFAOYSA-N |
| Molecular Weight | 489.182 g/mol |
| SMILES | c12c(c(c(c(c2C(N(C1=O)c1ccc(cc1)C(=O)OCCCCCC)=O)Cl)Cl)Cl)Cl |
| SPLASH | splash10-052f-9232300000-cb7b56549cda83ca907a |
| Synonyms | 4-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)benzoic acid hexyl ester Hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate Hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)benzoate Hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate Hexyl 4-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate |
| Wiley ID | 1446588 |