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Glutaric acid, 5-methoxy-3-phenylpentyl octyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 5-methoxy-3-phenylpentyl octyl ester
SpectraBase Compound ID 6vfvBd0jP3d
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-11-19-29-24(26)15-12-16-25(27)30-21-18-23(17-20-28-2)22-13-9-8-10-14-22/h8-10,13-14,23H,3-7,11-12,15-21H2,1-2H3
InChIKey LMZUTVUAALECAR-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 2gYlT4nXSF6
Name Glutaric acid, 5-methoxy-3-phenylpentyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-11-19-29-24(26)15-12-16-25(27)30-21-18-23(17-20-28-2)22-13-9-8-10-14-22/h8-10,13-14,23H,3-7,11-12,15-21H2,1-2H3
InChIKey LMZUTVUAALECAR-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES COCCC(CCOC(CCCC(OCCCCCCCC)=O)=O)C1=CC=CC=C1