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Glutaric acid, 3-chlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl pentadecyl ester
SpectraBase Compound ID FxIiNGWEySg
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-25(28)19-16-20-26(29)31-24-18-15-17-23(27)22-24/h15,17-18,22H,2-14,16,19-21H2,1H3
InChIKey NBKSTMJJTVUUMK-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9vjotofe8X
Name Glutaric acid, 3-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-25(28)19-16-20-26(29)31-24-18-15-17-23(27)22-24/h15,17-18,22H,2-14,16,19-21H2,1H3
InChIKey NBKSTMJJTVUUMK-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)Cl)=O)=O