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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl dodecyl ester
SpectraBase Compound ID ISQFShZFDum
InChI InChI=1S/C24H36ClFO4/c1-2-3-4-5-6-7-8-9-10-11-18-29-23(27)16-13-17-24(28)30-19-20-21(25)14-12-15-22(20)26/h12,14-15H,2-11,13,16-19H2,1H3
InChIKey FEBDVXSEOHBBOE-UHFFFAOYSA-N
Mol Weight 443.0 g/mol
Molecular Formula C24H36ClFO4
Exact Mass 442.228615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID By3zj3Eo9py
Name Glutaric acid, 2-chloro-6-fluorobenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.228615498 u
Formula C24H36ClFO4
InChI InChI=1S/C24H36ClFO4/c1-2-3-4-5-6-7-8-9-10-11-18-29-23(27)16-13-17-24(28)30-19-20-21(25)14-12-15-22(20)26/h12,14-15H,2-11,13,16-19H2,1H3
InChIKey FEBDVXSEOHBBOE-UHFFFAOYSA-N
Molecular Weight 442.999 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCC