| SpectraBase Compound ID | 7EieDVQGK4i |
|---|---|
| InChI | InChI=1S/C18H15F7N2O5/c1-4-15(11(28)26(2)14(31)27(3)12(15)29)9-5-7-10(8-6-9)32-13(30)16(19,20)17(21,22)18(23,24)25/h5-8H,4H2,1-3H3 |
| InChIKey | CRFJBIUIUBLLIQ-UHFFFAOYSA-N |
| Mol Weight | 472.32 g/mol |
| Molecular Formula | C18H15F7N2O5 |
| Exact Mass | 472.086919 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JR7eAk5v4by |
|---|---|
| Name | Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester |
| CAS Registry Number | 55429-88-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H15F7N2O5 |
| InChI | InChI=1S/C18H15F7N2O5/c1-4-15(11(28)26(2)14(31)27(3)12(15)29)9-5-7-10(8-6-9)32-13(30)16(19,20)17(21,22)18(23,24)25/h5-8H,4H2,1-3H3 |
| InChIKey | CRFJBIUIUBLLIQ-UHFFFAOYSA-N |
| Molecular Weight | 472.316 g/mol |
| SMILES | CCC1(c2ccc(cc2)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(N(C)C(N(C)C1=O)=O)=O |
| SPLASH | splash10-000x-5815900000-c5eb56a9e185d8f7490f |
| Source of Spectrum | BA-0-168-0 |
| Synonyms | 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] ester [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate [4-[5-ethyl-1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]phenyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| Wiley ID | 61853 |