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Succinic acid, 2-fluorophenethyl octadecyl ester
SpectraBase Compound ID H7vaYoy5S3X
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-34-29(32)22-23-30(33)35-26-24-27-20-17-18-21-28(27)31/h17-18,20-21H,2-16,19,22-26H2,1H3
InChIKey UYGPURIULDUAIF-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 1khbl46cSvT
Name Succinic acid, 2-fluorophenethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.361488217 u
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-34-29(32)22-23-30(33)35-26-24-27-20-17-18-21-28(27)31/h17-18,20-21H,2-16,19,22-26H2,1H3
InChIKey UYGPURIULDUAIF-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES C(CCC(OCCC=1C=CC=CC1F)=O)(OCCCCCCCCCCCCCCCCCC)=O