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

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester
SpectraBase Compound ID CQEGtBcq9NS
InChI InChI=1S/C18H19F7O4/c1-2-3-4-7-10-28-14(26)12-8-5-6-9-13(12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKey XSLVCYVVJHHYSR-UHFFFAOYSA-N
Mol Weight 432.33 g/mol
Molecular Formula C18H19F7O4
Exact Mass 432.117156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6mEIokwl4A
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.117156229 u
Formula C18H19F7O4
InChI InChI=1S/C18H19F7O4/c1-2-3-4-7-10-28-14(26)12-8-5-6-9-13(12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKey XSLVCYVVJHHYSR-UHFFFAOYSA-N
Molecular Weight 432.335 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O