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Diglycolic acid, decyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, decyl pentafluorobenzyl ester
SpectraBase Compound ID 6G0x3Wj6N9L
InChI InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-8-9-10-30-15(27)12-29-13-16(28)31-11-14-17(22)19(24)21(26)20(25)18(14)23/h2-13H2,1H3
InChIKey ZSJMGSIWZGNAHZ-UHFFFAOYSA-N
Mol Weight 454.43 g/mol
Molecular Formula C21H27F5O5
Exact Mass 454.177865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L92rwLfyGWZ
Name Diglycolic acid, decyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.177864779 u
Formula C21H27F5O5
InChI InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-8-9-10-30-15(27)12-29-13-16(28)31-11-14-17(22)19(24)21(26)20(25)18(14)23/h2-13H2,1H3
InChIKey ZSJMGSIWZGNAHZ-UHFFFAOYSA-N
Molecular Weight 454.434 g/mol
SMILES C(COCC(=O)OCCCCCCCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F