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Isophthalic acid, 3,5-difluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl pentadecyl ester
SpectraBase Compound ID xFhUW3mUjT
InChI InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-34-28(32)23-16-15-17-24(19-23)29(33)35-27-21-25(30)20-26(31)22-27/h15-17,19-22H,2-14,18H2,1H3
InChIKey MEABUHUEEOJIGR-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C29H38F2O4
Exact Mass 488.273816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GA2393GZxeH
Name Isophthalic acid, 3,5-difluorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.273816026 u
Formula C29H38F2O4
InChI InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-34-28(32)23-16-15-17-24(19-23)29(33)35-27-21-25(30)20-26(31)22-27/h15-17,19-22H,2-14,18H2,1H3
InChIKey MEABUHUEEOJIGR-UHFFFAOYSA-N
Molecular Weight 488.616 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OCCCCCCCCCCCCCCC)=O)=O