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Diglycolic acid, 3-phenylpropyl undecyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 3-phenylpropyl undecyl ester
SpectraBase Compound ID sRDVKtNMrT
InChI InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-13-18-28-23(25)20-27-21-24(26)29-19-14-17-22-15-11-10-12-16-22/h10-12,15-16H,2-9,13-14,17-21H2,1H3
InChIKey FVVGFIBPCVAFTM-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 3okt6WfnHI3
Name Diglycolic acid, 3-phenylpropyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-13-18-28-23(25)20-27-21-24(26)29-19-14-17-22-15-11-10-12-16-22/h10-12,15-16H,2-9,13-14,17-21H2,1H3
InChIKey FVVGFIBPCVAFTM-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C(COCC(=O)OCCCCCCCCCCC)(=O)OCCCC1=CC=CC=C1