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Dimethylmalonic acid, pentafluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, pentafluorobenzyl tridecyl ester
SpectraBase Compound ID 10kR2fvfT9c
InChI InChI=1S/C25H35F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-33-23(31)25(2,3)24(32)34-16-17-18(26)20(28)22(30)21(29)19(17)27/h4-16H2,1-3H3
InChIKey UMKDSFBAJGSQSN-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H35F5O4
Exact Mass 494.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgmTyBBZL3l
Name Dimethylmalonic acid, pentafluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.245550418 u
Formula C25H35F5O4
InChI InChI=1S/C25H35F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-33-23(31)25(2,3)24(32)34-16-17-18(26)20(28)22(30)21(29)19(17)27/h4-16H2,1-3H3
InChIKey UMKDSFBAJGSQSN-UHFFFAOYSA-N
Molecular Weight 494.543 g/mol
SMILES CCCCCCCCCCCCCOC(C(C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)(C)C)=O