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Diglycolic acid, 3-phenylpropyl tridecyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 3-phenylpropyl tridecyl ester
SpectraBase Compound ID 8Mg7KeJIFhR
InChI InChI=1S/C26H42O5/c1-2-3-4-5-6-7-8-9-10-11-15-20-30-25(27)22-29-23-26(28)31-21-16-19-24-17-13-12-14-18-24/h12-14,17-18H,2-11,15-16,19-23H2,1H3
InChIKey QYZJGDBJGKFASC-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGkYAzrZTr5
Name Diglycolic acid, 3-phenylpropyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-2-3-4-5-6-7-8-9-10-11-15-20-30-25(27)22-29-23-26(28)31-21-16-19-24-17-13-12-14-18-24/h12-14,17-18H,2-11,15-16,19-23H2,1H3
InChIKey QYZJGDBJGKFASC-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCCC)(=O)OCCCC1=CC=CC=C1