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Glutaric acid, 2,3-dimethylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3-dimethylphenyl dodecyl ester
SpectraBase Compound ID HdqQER3wpb9
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-20-28-24(26)18-15-19-25(27)29-23-17-14-16-21(2)22(23)3/h14,16-17H,4-13,15,18-20H2,1-3H3
InChIKey GSYXIHZJSRUWRO-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTbCFXiaCEf
Name Glutaric acid, 2,3-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-20-28-24(26)18-15-19-25(27)29-23-17-14-16-21(2)22(23)3/h14,16-17H,4-13,15,18-20H2,1-3H3
InChIKey GSYXIHZJSRUWRO-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O