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Isophthalic acid, 3,5-difluorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl heptyl ester
SpectraBase Compound ID CCKWE8AwDuE
InChI InChI=1S/C21H22F2O4/c1-2-3-4-5-6-10-26-20(24)15-8-7-9-16(11-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-9,11-14H,2-6,10H2,1H3
InChIKey FRNQOQKWWXPWLF-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C21H22F2O4
Exact Mass 376.148616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VOkfXc6sd2
Name Isophthalic acid, 3,5-difluorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.148615510 u
Formula C21H22F2O4
InChI InChI=1S/C21H22F2O4/c1-2-3-4-5-6-10-26-20(24)15-8-7-9-16(11-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-9,11-14H,2-6,10H2,1H3
InChIKey FRNQOQKWWXPWLF-UHFFFAOYSA-N
Molecular Weight 376.400 g/mol
SMILES C1(=CC(=CC(=C1)F)F)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O