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Glutaric acid, 4-methylbenzyl tetradecyl ester
SpectraBase Compound ID D9qMPvxt3Qx
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-30-26(28)16-15-17-27(29)31-23-25-20-18-24(2)19-21-25/h18-21H,3-17,22-23H2,1-2H3
InChIKey IDPQCTCHIKHTSH-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 1zr0A1oAAXG
Name Glutaric acid, 4-methylbenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-30-26(28)16-15-17-27(29)31-23-25-20-18-24(2)19-21-25/h18-21H,3-17,22-23H2,1-2H3
InChIKey IDPQCTCHIKHTSH-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCCCCCCCCCCC)=O