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Sebacic acid, 1-(pentafluorophenyl)ethyl propyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 1-(pentafluorophenyl)ethyl propyl ester
SpectraBase Compound ID DYq9NxPRbhf
InChI InChI=1S/C21H27F5O4/c1-3-12-29-14(27)10-8-6-4-5-7-9-11-15(28)30-13(2)16-17(22)19(24)21(26)20(25)18(16)23/h13H,3-12H2,1-2H3
InChIKey DLZKCDUZUBDZIX-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CUTEsHf71q
Name Sebacic acid, 1-(pentafluorophenyl)ethyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.182950160 u
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-3-12-29-14(27)10-8-6-4-5-7-9-11-15(28)30-13(2)16-17(22)19(24)21(26)20(25)18(16)23/h13H,3-12H2,1-2H3
InChIKey DLZKCDUZUBDZIX-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES C(CCCCCCC(OCCC)=O)CC(OC(C=1C(F)=C(C(=C(F)C1F)F)F)C)=O