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Pinosylvin, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR, and 1 FTIR

Pinosylvin, bis(heptafluorobutyrate)
SpectraBase Compound ID LgXWEuj1Ov5
InChI InChI=1S/C22H10F14O4/c23-17(24,19(27,28)21(31,32)33)15(37)39-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)40-16(38)18(25,26)20(29,30)22(34,35)36/h1-10H/b7-6+
InChIKey GKXFKSOEWBFRIE-VOTSOKGWSA-N
Mol Weight 604.3 g/mol
Molecular Formula C22H10F14O4
Exact Mass 604.035553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEx4CKHMPKR
Name Pinosylvin, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 604.035553080 u
Formula C22H10F14O4
InChI InChI=1S/C22H10F14O4/c23-17(24,19(27,28)21(31,32)33)15(37)39-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)40-16(38)18(25,26)20(29,30)22(34,35)36/h1-10H/b7-6+
InChIKey GKXFKSOEWBFRIE-VOTSOKGWSA-N
Molecular Weight 604.296 g/mol
SMILES C1(\C=C\C2=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=CC=C1