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Glutaric acid, 2-(2-fluorophenyl)ethyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-fluorophenyl)ethyl heptadecyl ester
SpectraBase Compound ID KJhkr95uRWi
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-34-29(32)22-19-23-30(33)35-26-24-27-20-16-17-21-28(27)31/h16-17,20-21H,2-15,18-19,22-26H2,1H3
InChIKey MGXWJEUYIXUPIU-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 8t0q7yFWENX
Name Glutaric acid, 2-(2-fluorophenyl)ethyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.361488217 u
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-34-29(32)22-19-23-30(33)35-26-24-27-20-16-17-21-28(27)31/h16-17,20-21H,2-15,18-19,22-26H2,1H3
InChIKey MGXWJEUYIXUPIU-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES C(OCCC1=C(C=CC=C1)F)(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O