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Diethylmalonic acid, 2-fluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorobenzyl heptyl ester
SpectraBase Compound ID DNLM0ENO7bQ
InChI InChI=1S/C21H31FO4/c1-4-7-8-9-12-15-25-19(23)21(5-2,6-3)20(24)26-16-17-13-10-11-14-18(17)22/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKey BBLDGFIHUYVKNN-UHFFFAOYSA-N
Mol Weight 366.47 g/mol
Molecular Formula C21H31FO4
Exact Mass 366.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqNtcbhDdoA
Name Diethylmalonic acid, 2-fluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.220637637 u
Formula C21H31FO4
InChI InChI=1S/C21H31FO4/c1-4-7-8-9-12-15-25-19(23)21(5-2,6-3)20(24)26-16-17-13-10-11-14-18(17)22/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKey BBLDGFIHUYVKNN-UHFFFAOYSA-N
Molecular Weight 366.473 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC