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Succinic acid, 4-fluorophenethyl octadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-fluorophenethyl octadecyl ester
SpectraBase Compound ID CwXg5xWKfXw
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-34-29(32)22-23-30(33)35-26-24-27-18-20-28(31)21-19-27/h18-21H,2-17,22-26H2,1H3
InChIKey STIXMOJRMBNKPA-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 HiHEEU1FV6Q
Name Succinic acid, 4-fluorophenethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.361488217 u
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-34-29(32)22-23-30(33)35-26-24-27-18-20-28(31)21-19-27/h18-21H,2-17,22-26H2,1H3
InChIKey STIXMOJRMBNKPA-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCCCCCCCCC)=O