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Glutaric acid, 4-chloro-3-methylphenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-chloro-3-methylphenyl hexadecyl ester
SpectraBase Compound ID IZsQxDxluGC
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)33-25-20-21-26(29)24(2)23-25/h20-21,23H,3-19,22H2,1-2H3
InChIKey WDEQUEJJPLGKME-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 JgKFcCrA9H8
Name Glutaric acid, 4-chloro-3-methylphenyl hexadecyl 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)33-25-20-21-26(29)24(2)23-25/h20-21,23H,3-19,22H2,1-2H3
InChIKey WDEQUEJJPLGKME-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)Cl)=O)=O