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Glutaric acid, dec-2-yl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dec-2-yl pentafluorobenzyl ester
SpectraBase Compound ID FGzViweq0ns
InChI InChI=1S/C22H29F5O4/c1-3-4-5-6-7-8-10-14(2)31-17(29)12-9-11-16(28)30-13-15-18(23)20(25)22(27)21(26)19(15)24/h14H,3-13H2,1-2H3
InChIKey NCCNELBWIROFIQ-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 5DrHbqDDWec
Name Glutaric acid, dec-2-yl pentafluorobenzyl 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/c1-3-4-5-6-7-8-10-14(2)31-17(29)12-9-11-16(28)30-13-15-18(23)20(25)22(27)21(26)19(15)24/h14H,3-13H2,1-2H3
InChIKey NCCNELBWIROFIQ-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES C(CCC(OC(C)CCCCCCCC)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O