SpectraBase Compound ID | 8dNt1ne7Mvx |
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InChI | InChI=1S/C26H45F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-23(34)24(27,28)25(29,30)26(31,32)33/h2-22H2,1H3 |
InChIKey | YZLMIVGAAHMMQN-UHFFFAOYSA-N |
Mol Weight | 522.6 g/mol |
Molecular Formula | C26H45F7O2 |
Exact Mass | 522.330778 g/mol |
SpectraBase Spectrum ID | FFEhBcMe7ns |
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Name | Docosyl heptafluorobutyrate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 522.330777828 u |
Formula | C26H45F7O2 |
InChI | InChI=1S/C26H45F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-23(34)24(27,28)25(29,30)26(31,32)33/h2-22H2,1H3 |
InChIKey | YZLMIVGAAHMMQN-UHFFFAOYSA-N |
Molecular Weight | 522.633 g/mol |
SMILES | C(CCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |