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Heptadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Heptadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID IEobF4eGT4T
InChI InChI=1S/C21H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(29)30-17-19(22,23)20(24,25)21(26,27)28/h2-17H2,1H3
InChIKey AGLRYMPVKMDGCD-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C21H35F7O2
Exact Mass 452.252528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6KXcP6KQ8h
Name Heptadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.252527506 u
Formula C21H35F7O2
InChI InChI=1S/C21H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(29)30-17-19(22,23)20(24,25)21(26,27)28/h2-17H2,1H3
InChIKey AGLRYMPVKMDGCD-UHFFFAOYSA-N
Molecular Weight 452.498 g/mol
SMILES C(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCCCCCC