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Docosyl heptafluorobutyrate
SpectraBase Compound ID 8dNt1ne7Mvx
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFEhBcMe7ns
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