| SpectraBase Compound ID | DNRvRXESZR8 |
|---|---|
| InChI | InChI=1S/C17H18F7NO3/c1-10(2)9-28-13(26)12(8-11-6-4-3-5-7-11)25-14(27)15(18,19)16(20,21)17(22,23)24/h3-7,10,12H,8-9H2,1-2H3,(H,25,27) |
| InChIKey | HXCNGUGPPZOLTE-UHFFFAOYSA-N |
| Mol Weight | 417.32 g/mol |
| Molecular Formula | C17H18F7NO3 |
| Exact Mass | 417.117491 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 79hqYTBc7hj |
|---|---|
| Name | Phenylalanine heptafluorobutyryl amide isopropyl ester |
| Alternate Name(s) | 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-phenylpropanoic acid 2-methylpropyl ester 2-Methylpropyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoate isobutyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenyl-propanoate 2-Methylpropyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-phenyl-propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H18F7NO3 |
| InChI | InChI=1S/C17H18F7NO3/c1-10(2)9-28-13(26)12(8-11-6-4-3-5-7-11)25-14(27)15(18,19)16(20,21)17(22,23)24/h3-7,10,12H,8-9H2,1-2H3,(H,25,27) |
| InChIKey | HXCNGUGPPZOLTE-UHFFFAOYSA-N |
| Molecular Weight | 417.324 g/mol |
| SMILES | N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C(OCC(C)C)=O)Cc1ccccc1 |
| SPLASH | splash10-0002-0009000000-4c3030c4095ecd8e6b47 |
| Source of Spectrum | O-31-727-0 |
| Wiley ID | 1376760 |