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Octacosyl heptafluorobutyrate

View entire compound with spectra: 1 NMR

Octacosyl heptafluorobutyrate
SpectraBase Compound ID 9vyrsU0O8e4
InChI InChI=1S/C32H57F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-41-29(40)30(33,34)31(35,36)32(37,38)39/h2-28H2,1H3
InChIKey LUZCOQCDQZIGAN-UHFFFAOYSA-N
Mol Weight 606.8 g/mol
Molecular Formula C32H57F7O2
Exact Mass 606.424678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hznf5dvHHuK
Name Octacosyl heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 606.424678214 u
Formula C32H57F7O2
InChI InChI=1S/C32H57F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-41-29(40)30(33,34)31(35,36)32(37,38)39/h2-28H2,1H3
InChIKey LUZCOQCDQZIGAN-UHFFFAOYSA-N
Molecular Weight 606.795 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F