![Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester](/api/spectrum/AIW0SCJUtkm/structure.png?h=300&w=458 "Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester")
| SpectraBase Compound ID | BLDGJOFnvSF |
|---|---|
| InChI | InChI=1S/C15H11F10NO5/c1-30-8-5-6(11(29,10(28)31-2)14(20,21)22)3-4-7(8)26-9(27)12(16,17)13(18,19)15(23,24)25/h3-5,29H,1-2H3,(H,26,27) |
| InChIKey | CAKSROUKIUIVRG-UHFFFAOYSA-N |
| Mol Weight | 475.24 g/mol |
| Molecular Formula | C15H11F10NO5 |
| Exact Mass | 475.047754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AIW0SCJUtkm |
|---|---|
| Name | Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H11F10NO5 |
| InChI | InChI=1S/C15H11F10NO5/c1-30-8-5-6(11(29,10(28)31-2)14(20,21)22)3-4-7(8)26-9(27)12(16,17)13(18,19)15(23,24)25/h3-5,29H,1-2H3,(H,26,27) |
| InChIKey | CAKSROUKIUIVRG-UHFFFAOYSA-N |
| Molecular Weight | 475.239 g/mol |
| SMILES | OC(c1cc(c(cc1)NC(=O)C(F)(F)C(C(F)(F)F)(F)F)OC)(C(F)(F)F)C(OC)=O |
| SPLASH | splash10-00mk-1106900000-b2423a1aa5f30cf347ad |
| Source of Spectrum | IY-2-4879-6 |
| Synonyms | 3,3,3-trifluoro-2-[4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-methoxyphenyl]-2-hydroxypropanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-methoxyphenyl]-2-hydroxypropanoate Methyl 3,3,3-trifluoro-2-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-methoxy-phenyl]-2-hydroxy-propanoate Methyl 3,3,3-tris(fluoranyl)-2-[4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-methoxy-phenyl]-2-oxidanyl-propanoate |
| Wiley ID | 1656553 |