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Sebacic acid, dipentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dipentafluorobenzyl ester
SpectraBase Compound ID E2E8wvN4x7f
InChI InChI=1S/C24H20F10O4/c25-15-11(16(26)20(30)23(33)19(15)29)9-37-13(35)7-5-3-1-2-4-6-8-14(36)38-10-12-17(27)21(31)24(34)22(32)18(12)28/h1-10H2
InChIKey PSADLRIMTFQPKD-UHFFFAOYSA-N
Mol Weight 562.4 g/mol
Molecular Formula C24H20F10O4
Exact Mass 562.120191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7SJmkVHGa7
Name Sebacic acid, dipentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 562.120190750 u
Formula C24H20F10O4
InChI InChI=1S/C24H20F10O4/c25-15-11(16(26)20(30)23(33)19(15)29)9-37-13(35)7-5-3-1-2-4-6-8-14(36)38-10-12-17(27)21(31)24(34)22(32)18(12)28/h1-10H2
InChIKey PSADLRIMTFQPKD-UHFFFAOYSA-N
Molecular Weight 562.404 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O