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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl pentadecyl ester
SpectraBase Compound ID HjOCpJwHuNK
InChI InChI=1S/C27H42ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-32-26(30)19-16-20-27(31)33-22-23-24(28)17-15-18-25(23)29/h15,17-18H,2-14,16,19-22H2,1H3
InChIKey GWRKDYCPXZXSIL-UHFFFAOYSA-N
Mol Weight 485.1 g/mol
Molecular Formula C27H42ClFO4
Exact Mass 484.275566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6M8R9MTbpJE
Name Glutaric acid, 2-chloro-6-fluorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.275565691 u
Formula C27H42ClFO4
InChI InChI=1S/C27H42ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-32-26(30)19-16-20-27(31)33-22-23-24(28)17-15-18-25(23)29/h15,17-18H,2-14,16,19-22H2,1H3
InChIKey GWRKDYCPXZXSIL-UHFFFAOYSA-N
Molecular Weight 485.080 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCCCCC