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Diglycolic acid, dodecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, dodecyl 3-phenylpropyl ester
SpectraBase Compound ID ACV8JJUqBdM
InChI InChI=1S/C25H40O5/c1-2-3-4-5-6-7-8-9-10-14-19-29-24(26)21-28-22-25(27)30-20-15-18-23-16-12-11-13-17-23/h11-13,16-17H,2-10,14-15,18-22H2,1H3
InChIKey NCYDXNIEJRUZDJ-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 DavjlQdgc9O
Name Diglycolic acid, dodecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-2-3-4-5-6-7-8-9-10-14-19-29-24(26)21-28-22-25(27)30-20-15-18-23-16-12-11-13-17-23/h11-13,16-17H,2-10,14-15,18-22H2,1H3
InChIKey NCYDXNIEJRUZDJ-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCCC)(=O)OCCCC1=CC=CC=C1