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Diglycolic acid, dodecyl 2-methylphenyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, dodecyl 2-methylphenyl ester
SpectraBase Compound ID A58YMBLq5JO
InChI InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(24)18-26-19-23(25)28-21-16-13-12-15-20(21)2/h12-13,15-16H,3-11,14,17-19H2,1-2H3
InChIKey VJRQVLZUDVTHHY-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPWoNtHSZgp
Name Diglycolic acid, dodecyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(24)18-26-19-23(25)28-21-16-13-12-15-20(21)2/h12-13,15-16H,3-11,14,17-19H2,1-2H3
InChIKey VJRQVLZUDVTHHY-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCC)(=O)OC1=C(C=CC=C1)C