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Glutaric acid, 2-methylbenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylbenzyl tetradecyl ester
SpectraBase Compound ID DLtJhl9Vxt2
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)20-17-21-27(29)31-23-25-19-15-14-18-24(25)2/h14-15,18-19H,3-13,16-17,20-23H2,1-2H3
InChIKey AESQEDBLHHYXQX-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zmWCJg2CJi
Name Glutaric acid, 2-methylbenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)20-17-21-27(29)31-23-25-19-15-14-18-24(25)2/h14-15,18-19H,3-13,16-17,20-23H2,1-2H3
InChIKey AESQEDBLHHYXQX-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(OCC=1C(C)=CC=CC1)(=O)CCCC(OCCCCCCCCCCCCCC)=O