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Glutaric acid, 3-chlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl hexadecyl ester
SpectraBase Compound ID F9Z60XW4b49
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-17-21-27(30)32-25-19-16-18-24(28)23-25/h16,18-19,23H,2-15,17,20-22H2,1H3
InChIKey QUOZBOQLNNNETK-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21noSCFNjWF
Name Glutaric acid, 3-chlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-17-21-27(30)32-25-19-16-18-24(28)23-25/h16,18-19,23H,2-15,17,20-22H2,1H3
InChIKey QUOZBOQLNNNETK-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)Cl)=O)=O