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Fumaric acid, dodecyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, dodecyl 2-fluorophenyl ester
SpectraBase Compound ID 4KYwf3WBnMD
InChI InChI=1S/C22H31FO4/c1-2-3-4-5-6-7-8-9-10-13-18-26-21(24)16-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3/b17-16+
InChIKey VISPMEONIBAPDW-WUKNDPDISA-N
Mol Weight 378.48 g/mol
Molecular Formula C22H31FO4
Exact Mass 378.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDh2Vdk3nX8
Name Fumaric acid, dodecyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.220637637 u
Formula C22H31FO4
InChI InChI=1S/C22H31FO4/c1-2-3-4-5-6-7-8-9-10-13-18-26-21(24)16-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3/b17-16+
InChIKey VISPMEONIBAPDW-WUKNDPDISA-N
Molecular Weight 378.484 g/mol
SMILES C1(=C(C=CC=C1)OC(\C=C\C(OCCCCCCCCCCCC)=O)=O)F