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Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester
SpectraBase Compound ID J003VHVlSXu
InChI InChI=1S/C20H25F5O4/c1-11(2)9-12(3)29-15(27)8-6-4-5-7-14(26)28-10-13-16(21)18(23)20(25)19(24)17(13)22/h11-12H,4-10H2,1-3H3
InChIKey UMJHPPZMABXYRR-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdkY6i25YzZ
Name Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-11(2)9-12(3)29-15(27)8-6-4-5-7-14(26)28-10-13-16(21)18(23)20(25)19(24)17(13)22/h11-12H,4-10H2,1-3H3
InChIKey UMJHPPZMABXYRR-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C(OCC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCCCC(OC(CC(C)C)C)=O