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Isophthalic acid, di(pentafluorobenzyl) ester
SpectraBase Compound ID EeYeTplv6gq
InChI InChI=1S/C22H8F10O4/c23-11-9(12(24)16(28)19(31)15(11)27)5-35-21(33)7-2-1-3-8(4-7)22(34)36-6-10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2
InChIKey KCNITRSOMNWVTA-UHFFFAOYSA-N
Mol Weight 526.29 g/mol
Molecular Formula C22H8F10O4
Exact Mass 526.02629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9IR50ySJjs
Name Isophthalic acid, di(pentafluorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.026290364 u
Formula C22H8F10O4
InChI InChI=1S/C22H8F10O4/c23-11-9(12(24)16(28)19(31)15(11)27)5-35-21(33)7-2-1-3-8(4-7)22(34)36-6-10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2
InChIKey KCNITRSOMNWVTA-UHFFFAOYSA-N
Molecular Weight 526.286 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)COC(C=1C=C(C(OCC=2C(=C(C(=C(F)C2F)F)F)F)=O)C=CC1)=O)F)F)F