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

View entire compound with spectra: 1 NMR

Octadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID CRE976PwcqA
InChI InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(30)31-18-20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3
InChIKey FPXDGJTUCNIVJN-UHFFFAOYSA-N
Mol Weight 466.5 g/mol
Molecular Formula C22H37F7O2
Exact Mass 466.268178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ApxKtRBf2B
Name Octadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.268177570 u
Formula C22H37F7O2
InChI InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(30)31-18-20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3
InChIKey FPXDGJTUCNIVJN-UHFFFAOYSA-N
Molecular Weight 466.525 g/mol
SMILES C(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCCCCCCC