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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl nonyl ester
SpectraBase Compound ID pcXH3d9KqF
InChI InChI=1S/C21H30ClFO4/c1-2-3-4-5-6-7-8-15-26-20(24)13-10-14-21(25)27-16-17-18(22)11-9-12-19(17)23/h9,11-12H,2-8,10,13-16H2,1H3
InChIKey KDKCCUFKWLFDGZ-UHFFFAOYSA-N
Mol Weight 400.92 g/mol
Molecular Formula C21H30ClFO4
Exact Mass 400.181665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLJKtCLQnBy
Name Glutaric acid, 2-chloro-6-fluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.181665305 u
Formula C21H30ClFO4
InChI InChI=1S/C21H30ClFO4/c1-2-3-4-5-6-7-8-15-26-20(24)13-10-14-21(25)27-16-17-18(22)11-9-12-19(17)23/h9,11-12H,2-8,10,13-16H2,1H3
InChIKey KDKCCUFKWLFDGZ-UHFFFAOYSA-N
Molecular Weight 400.918 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCC