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Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 1EVGXZFRoPS
InChI InChI=1S/C30H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38-23(36)19-20-24(37)39-22(2)25-26(31)28(33)30(35)29(34)27(25)32/h22H,3-21H2,1-2H3
InChIKey JXYJJOVUXUSPDP-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C30H45F5O4
Exact Mass 564.323801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cNGAt5nSSL
Name Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.323800740 u
Formula C30H45F5O4
InChI InChI=1S/C30H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38-23(36)19-20-24(37)39-22(2)25-26(31)28(33)30(35)29(34)27(25)32/h22H,3-21H2,1-2H3
InChIKey JXYJJOVUXUSPDP-UHFFFAOYSA-N
Molecular Weight 564.678 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCCCCCCCCCCC)=O)C)F)F)F