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Glutaric acid, hexadecyl 4-methylbenzyl ester

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Glutaric acid, hexadecyl 4-methylbenzyl ester
SpectraBase Compound ID 9dw7SU0c5S7
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-32-28(30)18-17-19-29(31)33-25-27-22-20-26(2)21-23-27/h20-23H,3-19,24-25H2,1-2H3
InChIKey ROEOFUJBWBMGFE-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjCMfIgafY6
Name Glutaric acid, hexadecyl 4-methylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-32-28(30)18-17-19-29(31)33-25-27-22-20-26(2)21-23-27/h20-23H,3-19,24-25H2,1-2H3
InChIKey ROEOFUJBWBMGFE-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O