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Diethylmalonic acid, 2-fluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2-fluorophenyl heptadecyl ester
SpectraBase Compound ID 7zsI1h0YNky
InChI InChI=1S/C30H49FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKey IWRDUVBECOFNTL-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H49FO4
Exact Mass 492.361488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYohlF79svM
Name Diethylmalonic acid, 2-fluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.361488217 u
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKey IWRDUVBECOFNTL-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC