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Phthalic acid, heptyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl pentafluorophenyl ester
SpectraBase Compound ID J6c2X1IwKl1
InChI InChI=1S/C21H19F5O4/c1-2-3-4-5-8-11-29-20(27)12-9-6-7-10-13(12)21(28)30-19-17(25)15(23)14(22)16(24)18(19)26/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey OBFFMZFQVHJOJM-UHFFFAOYSA-N
Mol Weight 430.37 g/mol
Molecular Formula C21H19F5O4
Exact Mass 430.12035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzDdnKleqlo
Name Phthalic acid, heptyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.120349903 u
Formula C21H19F5O4
InChI InChI=1S/C21H19F5O4/c1-2-3-4-5-8-11-29-20(27)12-9-6-7-10-13(12)21(28)30-19-17(25)15(23)14(22)16(24)18(19)26/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey OBFFMZFQVHJOJM-UHFFFAOYSA-N
Molecular Weight 430.371 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O