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Sebacic acid, pentafluorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentafluorobenzyl tetradecyl ester
SpectraBase Compound ID M0UlKzRB2d
InChI InChI=1S/C31H47F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-39-25(37)20-17-14-11-12-15-18-21-26(38)40-23-24-27(32)29(34)31(36)30(35)28(24)33/h2-23H2,1H3
InChIKey LLZLRACQBUCWMU-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C31H47F5O4
Exact Mass 578.339451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeGtpXxg16e
Name Sebacic acid, pentafluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 578.339450804 u
Formula C31H47F5O4
InChI InChI=1S/C31H47F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-39-25(37)20-17-14-11-12-15-18-21-26(38)40-23-24-27(32)29(34)31(36)30(35)28(24)33/h2-23H2,1H3
InChIKey LLZLRACQBUCWMU-UHFFFAOYSA-N
Molecular Weight 578.705 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCCCCCCCCC)=O