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Diethylmalonic acid, decyl 2-fluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-fluorobenzyl ester
SpectraBase Compound ID 2I2Rt9jfomI
InChI InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-15-18-28-22(26)24(5-2,6-3)23(27)29-19-20-16-13-14-17-21(20)25/h13-14,16-17H,4-12,15,18-19H2,1-3H3
InChIKey SROXMZAFIQLJND-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H37FO4
Exact Mass 408.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKtB2YSNxyv
Name Diethylmalonic acid, decyl 2-fluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-15-18-28-22(26)24(5-2,6-3)23(27)29-19-20-16-13-14-17-21(20)25/h13-14,16-17H,4-12,15,18-19H2,1-3H3
InChIKey SROXMZAFIQLJND-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC