| SpectraBase Compound ID | 3coQC3jy94Y |
|---|---|
| InChI | InChI=1S/C14H16Cl6N2O5/c15-13(16,17)6-26-11(24)21-5-10(23)8-3-1-2-4-9(8)22(21)12(25)27-7-14(18,19)20/h8-9H,1-7H2 |
| InChIKey | RNDDIFIJFQXITO-UHFFFAOYSA-N |
| Mol Weight | 505.0 g/mol |
| Molecular Formula | C14H16Cl6N2O5 |
| Exact Mass | 501.919038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jjfuq4bA7uf |
|---|---|
| Name | 4-Oxooctahydrocinnoline-1,2-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16Cl6N2O5 |
| InChI | InChI=1S/C14H16Cl6N2O5/c15-13(16,17)6-26-11(24)21-5-10(23)8-3-1-2-4-9(8)22(21)12(25)27-7-14(18,19)20/h8-9H,1-7H2 |
| InChIKey | RNDDIFIJFQXITO-UHFFFAOYSA-N |
| Molecular Weight | 505.009 g/mol |
| SMILES | C(Cl)(COC(N1N(CC(C2C1CCCC2)=O)C(=O)OCC(Cl)(Cl)Cl)=O)(Cl)Cl |
| SPLASH | splash10-001i-9310000000-4bf48b592e0184b28d74 |
| Synonyms | 4-keto-4a,5,6,7,8,8a-hexahydro-3H-cinnoline-1,2-dicarboxylic acid bis(2,2,2-trichloroethyl) ester 4-Oxo-4a,5,6,7,8,8a-hexahydro-3H-cinnoline-1,2-dicarboxylic acid bis(2,2,2-trichloroethyl) ester bis(2,2,2-trichloroethyl) 4-oxo-4a,5,6,7,8,8a-hexahydro-3H-cinnoline-1,2-dicarboxylate Bis(2,2,2-trichloroethyl) 4-oxooctahydro-1,2-cinnolinedicarboxylate |
| Wiley ID | 1474750 |