SpectraBase Compound ID | JkaMJSAePGQ |
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InChI | InChI=1S/C18H20F7NO3/c1-11(2)8-9-29-14(27)13(10-12-6-4-3-5-7-12)26-15(28)16(19,20)17(21,22)18(23,24)25/h3-7,11,13H,8-10H2,1-2H3,(H,26,28) |
InChIKey | RIFMBBMPJCVSLZ-UHFFFAOYSA-N |
Mol Weight | 431.35 g/mol |
Molecular Formula | C18H20F7NO3 |
Exact Mass | 431.133141 g/mol |
SpectraBase Spectrum ID | Fll1bXSvu8m |
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Name | 3-Methylbutyl N-(heptafluorobutyryl)phenylalaninate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 431.133140646 u |
Formula | C18H20F7NO3 |
InChI | InChI=1S/C18H20F7NO3/c1-11(2)8-9-29-14(27)13(10-12-6-4-3-5-7-12)26-15(28)16(19,20)17(21,22)18(23,24)25/h3-7,11,13H,8-10H2,1-2H3,(H,26,28) |
InChIKey | RIFMBBMPJCVSLZ-UHFFFAOYSA-N |
Molecular Weight | 431.351 g/mol |
SMILES | C1=C(C=CC=C1)CC(NC(=O)C(C(F)(F)C(F)(F)F)(F)F)C(OCCC(C)C)=O |