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Succinic acid, dodecyl 4-fluorophenethyl ester
SpectraBase Compound ID 3StgeW9TA9Y
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-19-28-23(26)16-17-24(27)29-20-18-21-12-14-22(25)15-13-21/h12-15H,2-11,16-20H2,1H3
InChIKey PZKLMUVLMYNOEE-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H37FO4
Exact Mass 408.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DW27dxTSEpa
Name Succinic acid, dodecyl 4-fluorophenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-19-28-23(26)16-17-24(27)29-20-18-21-12-14-22(25)15-13-21/h12-15H,2-11,16-20H2,1H3
InChIKey PZKLMUVLMYNOEE-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCCC)=O