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Isophthalic acid, nonyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, nonyl pentafluorobenzyl ester
SpectraBase Compound ID A4fyFTUnTrd
InChI InChI=1S/C24H25F5O4/c1-2-3-4-5-6-7-8-12-32-23(30)15-10-9-11-16(13-15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h9-11,13H,2-8,12,14H2,1H3
InChIKey AZKZTGAXNUTUPS-UHFFFAOYSA-N
Mol Weight 472.45 g/mol
Molecular Formula C24H25F5O4
Exact Mass 472.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3H95tysRJyI
Name Isophthalic acid, nonyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.167300096 u
Formula C24H25F5O4
InChI InChI=1S/C24H25F5O4/c1-2-3-4-5-6-7-8-12-32-23(30)15-10-9-11-16(13-15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h9-11,13H,2-8,12,14H2,1H3
InChIKey AZKZTGAXNUTUPS-UHFFFAOYSA-N
Molecular Weight 472.452 g/mol
SMILES CCCCCCCCCOC(C=1C=C(C(OCC=2C(=C(C(=C(F)C2F)F)F)F)=O)C=CC1)=O