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Glutaric acid, 4-methylbenzyl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-methylbenzyl octadecyl ester
SpectraBase Compound ID AkW6gJiHinW
InChI InChI=1S/C31H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-34-30(32)20-19-21-31(33)35-27-29-24-22-28(2)23-25-29/h22-25H,3-21,26-27H2,1-2H3
InChIKey WPMZZCSIPZRHLQ-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xP9kpjfB0k
Name Glutaric acid, 4-methylbenzyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-34-30(32)20-19-21-31(33)35-27-29-24-22-28(2)23-25-29/h22-25H,3-21,26-27H2,1-2H3
InChIKey WPMZZCSIPZRHLQ-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O