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Glutaric acid, pentafluorophenyl undecyl ester

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Glutaric acid, pentafluorophenyl undecyl ester
SpectraBase Compound ID 5R9Ja5dVVyR
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-14-30-15(28)12-11-13-16(29)31-22-20(26)18(24)17(23)19(25)21(22)27/h2-14H2,1H3
InChIKey FBQXQBMPKAJOLO-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H29F5O4
Exact Mass 452.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ck3T45JXX2D
Name Glutaric acid, pentafluorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.198600225 u
Formula C22H29F5O4
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-14-30-15(28)12-11-13-16(29)31-22-20(26)18(24)17(23)19(25)21(22)27/h2-14H2,1H3
InChIKey FBQXQBMPKAJOLO-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O