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Glutaric acid, 3,4-dimethylphenyl tetradecyl ester
SpectraBase Compound ID NwHeeMLLyO
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-30-26(28)17-16-18-27(29)31-25-20-19-23(2)24(3)22-25/h19-20,22H,4-18,21H2,1-3H3
InChIKey MRONEDMVNNOMGG-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 FbbXaszllPd
Name Glutaric acid, 3,4-dimethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-30-26(28)17-16-18-27(29)31-25-20-19-23(2)24(3)22-25/h19-20,22H,4-18,21H2,1-3H3
InChIKey MRONEDMVNNOMGG-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCCCCCCCCCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)C)=O)=O