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Diglycolic acid, 2,5-dimethylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 2,5-dimethylphenyl tridecyl ester
SpectraBase Compound ID EQUCSouKnHW
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-29-24(26)19-28-20-25(27)30-23-18-21(2)15-16-22(23)3/h15-16,18H,4-14,17,19-20H2,1-3H3
InChIKey GGIADBKXKVTITB-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Y1sBYKv423
Name Diglycolic acid, 2,5-dimethylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-29-24(26)19-28-20-25(27)30-23-18-21(2)15-16-22(23)3/h15-16,18H,4-14,17,19-20H2,1-3H3
InChIKey GGIADBKXKVTITB-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCCC)(=O)OC1=C(C=CC(=C1)C)C