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Glutaric acid, 2-chloro-6-fluorobenzyl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl octadecyl ester
SpectraBase Compound ID ESKjm4iatd0
InChI InChI=1S/C30H48ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35-29(33)22-19-23-30(34)36-25-26-27(31)20-18-21-28(26)32/h18,20-21H,2-17,19,22-25H2,1H3
InChIKey TYOHCFMWWMCQPF-UHFFFAOYSA-N
Mol Weight 527.2 g/mol
Molecular Formula C30H48ClFO4
Exact Mass 526.322516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBS9ITsYnNH
Name Glutaric acid, 2-chloro-6-fluorobenzyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 526.322515885 u
Formula C30H48ClFO4
InChI InChI=1S/C30H48ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35-29(33)22-19-23-30(34)36-25-26-27(31)20-18-21-28(26)32/h18,20-21H,2-17,19,22-25H2,1H3
InChIKey TYOHCFMWWMCQPF-UHFFFAOYSA-N
Molecular Weight 527.161 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCCCCCCCC