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Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID CQMKBW2py74
InChI InChI=1S/C16H15F7O4/c1-2-3-8-26-12(24)10-6-4-5-7-11(10)13(25)27-9-14(17,18)15(19,20)16(21,22)23/h4-7H,2-3,8-9H2,1H3
InChIKey LAQIHCCHSQNFDR-UHFFFAOYSA-N
Mol Weight 404.28 g/mol
Molecular Formula C16H15F7O4
Exact Mass 404.085856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A65dl82kxJm
Name Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.085856100 u
Formula C16H15F7O4
InChI InChI=1S/C16H15F7O4/c1-2-3-8-26-12(24)10-6-4-5-7-11(10)13(25)27-9-14(17,18)15(19,20)16(21,22)23/h4-7H,2-3,8-9H2,1H3
InChIKey LAQIHCCHSQNFDR-UHFFFAOYSA-N
Molecular Weight 404.281 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O