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Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tridecyl ester
SpectraBase Compound ID 6EhXcVwM4V2
InChI InChI=1S/C27H43FO5/c1-5-8-9-10-11-12-13-14-15-16-17-20-32-25(29)27(6-2,7-3)26(30)33-23-19-18-22(28)21-24(23)31-4/h18-19,21H,5-17,20H2,1-4H3
InChIKey QEHHAQKQZXZJTC-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C27H43FO5
Exact Mass 466.309453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dzPMB9okHD
Name Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.309452643 u
Formula C27H43FO5
InChI InChI=1S/C27H43FO5/c1-5-8-9-10-11-12-13-14-15-16-17-20-32-25(29)27(6-2,7-3)26(30)33-23-19-18-22(28)21-24(23)31-4/h18-19,21H,5-17,20H2,1-4H3
InChIKey QEHHAQKQZXZJTC-UHFFFAOYSA-N
Molecular Weight 466.634 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O