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Glutaric acid, 1-cyclopentylethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Glutaric acid, 1-cyclopentylethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 3jVnn6yyRXe
InChI InChI=1S/C17H22F8O4/c1-10(11-5-2-3-6-11)29-13(27)8-4-7-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h10-11,14H,2-9H2,1H3
InChIKey CSMXMGUVRRLWLA-UHFFFAOYSA-N
Mol Weight 442.35 g/mol
Molecular Formula C17H22F8O4
Exact Mass 442.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpwThFcA9cN
Name Glutaric acid, 1-cyclopentylethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.139034488 u
Formula C17H22F8O4
InChI InChI=1S/C17H22F8O4/c1-10(11-5-2-3-6-11)29-13(27)8-4-7-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h10-11,14H,2-9H2,1H3
InChIKey CSMXMGUVRRLWLA-UHFFFAOYSA-N
Molecular Weight 442.346 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(C)C1CCCC1)=O