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Isophthalic acid, 3,5-difluorophenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl octyl ester
SpectraBase Compound ID p8OUOCxQPw
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-7-11-27-21(25)16-9-8-10-17(12-16)22(26)28-20-14-18(23)13-19(24)15-20/h8-10,12-15H,2-7,11H2,1H3
InChIKey DPSWMBLFNHKBSO-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C22H24F2O4
Exact Mass 390.164266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEMQpJywaMD
Name Isophthalic acid, 3,5-difluorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-7-11-27-21(25)16-9-8-10-17(12-16)22(26)28-20-14-18(23)13-19(24)15-20/h8-10,12-15H,2-7,11H2,1H3
InChIKey DPSWMBLFNHKBSO-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O