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Diglycolic acid, 2,5-dimethylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 2,5-dimethylphenyl dodecyl ester
SpectraBase Compound ID LAtk5LwwRKx
InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-16-28-23(25)18-27-19-24(26)29-22-17-20(2)14-15-21(22)3/h14-15,17H,4-13,16,18-19H2,1-3H3
InChIKey NMVXLHSROHKYDE-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhYqdtCxEIh
Name Diglycolic acid, 2,5-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-16-28-23(25)18-27-19-24(26)29-22-17-20(2)14-15-21(22)3/h14-15,17H,4-13,16,18-19H2,1-3H3
InChIKey NMVXLHSROHKYDE-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCC)(=O)OC1=C(C=CC(=C1)C)C