![Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester](/api/spectrum/9x6bVlBzd5p/structure.png?h=300&w=458 "Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester")
| SpectraBase Compound ID | 1Vn46DI1SEx |
|---|---|
| InChI | InChI=1S/C20H8F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-2,5H,3-4H2,(H,42,43) |
| InChIKey | HQCGNAGTHKEFMI-UHFFFAOYSA-N |
| Mol Weight | 741.25 g/mol |
| Molecular Formula | C20H8F21NO5 |
| Exact Mass | 741.006714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9x6bVlBzd5p |
|---|---|
| Name | Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester |
| Alternate Name(s) | 4-(2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]ethyl)-2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]phenyl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [2-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]phenyl] ester [4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]-2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate [4-[2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]ethyl]-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]phenyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| CAS Registry Number | 55538-89-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H8F21NO5 |
| InChI | InChI=1S/C20H8F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-2,5H,3-4H2,(H,42,43) |
| InChIKey | HQCGNAGTHKEFMI-UHFFFAOYSA-N |
| Molecular Weight | 741.252 g/mol |
| SMILES | N(CCc1ccc(c(c1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH | splash10-00or-9733080000-c3661d84bc1d2836ce93 |
| Source of Spectrum | AD-0-5206-0 |
| Wiley ID | 66539 |