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Glutaric acid, 3-chlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl tetradecyl ester
SpectraBase Compound ID APs4jMkQXXD
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-24(27)18-15-19-25(28)30-23-17-14-16-22(26)21-23/h14,16-17,21H,2-13,15,18-20H2,1H3
InChIKey CSSAUXTWTQZFRF-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZoktPwf41e
Name Glutaric acid, 3-chlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-24(27)18-15-19-25(28)30-23-17-14-16-22(26)21-23/h14,16-17,21H,2-13,15,18-20H2,1H3
InChIKey CSSAUXTWTQZFRF-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES CCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)Cl)=O)=O