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Diglycolic acid, pentafluorobenzyl undecyl ester

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Diglycolic acid, pentafluorobenzyl undecyl ester
SpectraBase Compound ID KeAgbmJayJv
InChI InChI=1S/C22H29F5O5/c1-2-3-4-5-6-7-8-9-10-11-31-16(28)13-30-14-17(29)32-12-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey ZMJMNBUTFSJQNZ-UHFFFAOYSA-N
Mol Weight 468.46 g/mol
Molecular Formula C22H29F5O5
Exact Mass 468.193515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yIm5uMB8mh
Name Diglycolic acid, pentafluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.193514844 u
Formula C22H29F5O5
InChI InChI=1S/C22H29F5O5/c1-2-3-4-5-6-7-8-9-10-11-31-16(28)13-30-14-17(29)32-12-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey ZMJMNBUTFSJQNZ-UHFFFAOYSA-N
Molecular Weight 468.461 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F