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Diethylmalonic acid, decyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-fluorophenyl ester
SpectraBase Compound ID BMJn7Ns5V4m
InChI InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-15-18-27-21(25)23(5-2,6-3)22(26)28-20-17-14-13-16-19(20)24/h13-14,16-17H,4-12,15,18H2,1-3H3
InChIKey GCHRVPILUVVSAN-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C23H35FO4
Exact Mass 394.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CziwvDFFXXY
Name Diethylmalonic acid, decyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.251937766 u
Formula C23H35FO4
InChI InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-15-18-27-21(25)23(5-2,6-3)22(26)28-20-17-14-13-16-19(20)24/h13-14,16-17H,4-12,15,18H2,1-3H3
InChIKey GCHRVPILUVVSAN-UHFFFAOYSA-N
Molecular Weight 394.527 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC)C