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Glutaric acid, hexadecyl 2-methyl-4-chlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 2-methyl-4-chlorophenyl ester
SpectraBase Compound ID 8ZJG8FvUJQZ
InChI InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-27(30)18-17-19-28(31)33-26-21-20-25(29)23-24(26)2/h20-21,23H,3-19,22H2,1-2H3
InChIKey QYYSJNNXVIEWBQ-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNGOX1DyPx1
Name Glutaric acid, hexadecyl 2-methyl-4-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-27(30)18-17-19-28(31)33-26-21-20-25(29)23-24(26)2/h20-21,23H,3-19,22H2,1-2H3
InChIKey QYYSJNNXVIEWBQ-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1C)Cl)=O)=O