| SpectraBase Compound ID | Lds4JjjMooJ |
|---|---|
| InChI | InChI=1S/C16H13F3N2O9/c1-29-14(24)15(16(17,18)19,11-3-2-4-12(11)22)30-13(23)8-5-9(20(25)26)7-10(6-8)21(27)28/h5-7,11H,2-4H2,1H3 |
| InChIKey | PTBRKGCCXPGXRQ-UHFFFAOYSA-N |
| Mol Weight | 434.28 g/mol |
| Molecular Formula | C16H13F3N2O9 |
| Exact Mass | 434.057314 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bou3Patodm9 |
|---|---|
| Name | Methyl 2-(3,5-Dinitrobenzoyloxy)-2-(2-oxocyclopentyl)-3,3,3-trifluoropropanoate |
| Alternate Name(s) | 2,2,2-trifluoro-1-(methoxycarbonyl)-1-(2-oxocyclopentyl)ethyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid[1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-oxocyclopentyl)propan-2-yl]ester 3,5-Dinitrobenzoic acid[1-carbomethoxy-2,2,2-trifluoro-1-(2-ketocyclopentyl)ethyl]ester [1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-oxocyclopentyl)propan-2-yl]3,5-dinitrobenzoate [1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-2-(2-oxidanylidenecyclopentyl)propan-2-yl]3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid [1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-oxocyclopentyl)propan-2-yl] ester [1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-oxocyclopentyl)propan-2-yl] 3,5-dinitrobenzoate [2,2,2-trifluoro-1-methoxycarbonyl-1-(2-oxocyclopentyl)ethyl] 3,5-dinitrobenzoate [1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-2-(2-oxidanylidenecyclopentyl)propan-2-yl] 3,5-dinitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13F3N2O9 |
| InChI | InChI=1S/C16H13F3N2O9/c1-29-14(24)15(16(17,18)19,11-3-2-4-12(11)22)30-13(23)8-5-9(20(25)26)7-10(6-8)21(27)28/h5-7,11H,2-4H2,1H3 |
| InChIKey | PTBRKGCCXPGXRQ-UHFFFAOYSA-N |
| Molecular Weight | 434.280 g/mol |
| SMILES | C(C(C(F)(F)F)(C1C(CCC1)=O)OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)(=O)OC |
| SPLASH | splash10-0002-2920000000-a62e09cd31c0d06df133 |
| Source of Spectrum | C5-2004-524-11 |
| Wiley ID | 1616596 |