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Glutaric acid, 4-methylbenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-methylbenzyl pentadecyl ester
SpectraBase Compound ID DsweN6XuVrQ
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-31-27(29)17-16-18-28(30)32-24-26-21-19-25(2)20-22-26/h19-22H,3-18,23-24H2,1-2H3
InChIKey YAIAAMSDZMKFMN-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9ON6ASEwEA
Name Glutaric acid, 4-methylbenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-31-27(29)17-16-18-28(30)32-24-26-21-19-25(2)20-22-26/h19-22H,3-18,23-24H2,1-2H3
InChIKey YAIAAMSDZMKFMN-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCCCCCCCCCCCC)=O