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Isophthalic acid, pentafluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentafluorobenzyl undecyl ester
SpectraBase Compound ID 8LA3vcK650X
InChI InChI=1S/C26H29F5O4/c1-2-3-4-5-6-7-8-9-10-14-34-25(32)17-12-11-13-18(15-17)26(33)35-16-19-20(27)22(29)24(31)23(30)21(19)28/h11-13,15H,2-10,14,16H2,1H3
InChIKey BDZPYYMSYCKPSC-UHFFFAOYSA-N
Mol Weight 500.51 g/mol
Molecular Formula C26H29F5O4
Exact Mass 500.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CushrEeTXxv
Name Isophthalic acid, pentafluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.198600225 u
Formula C26H29F5O4
InChI InChI=1S/C26H29F5O4/c1-2-3-4-5-6-7-8-9-10-14-34-25(32)17-12-11-13-18(15-17)26(33)35-16-19-20(27)22(29)24(31)23(30)21(19)28/h11-13,15H,2-10,14,16H2,1H3
InChIKey BDZPYYMSYCKPSC-UHFFFAOYSA-N
Molecular Weight 500.506 g/mol
SMILES CCCCCCCCCCCOC(C=1C=C(C(OCC=2C(=C(C(=C(F)C2F)F)F)F)=O)C=CC1)=O