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Diglycolic acid, 2-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 2-methylphenyl tridecyl ester
SpectraBase Compound ID GIqeeXXmdgt
InChI InChI=1S/C24H38O5/c1-3-4-5-6-7-8-9-10-11-12-15-18-28-23(25)19-27-20-24(26)29-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3
InChIKey WBXOCWNZOVUTEI-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 59uAOYOtMpe
Name Diglycolic acid, 2-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-3-4-5-6-7-8-9-10-11-12-15-18-28-23(25)19-27-20-24(26)29-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3
InChIKey WBXOCWNZOVUTEI-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCCC)(=O)OC1=C(C=CC=C1)C