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Glutaric acid, dodecyl 3-methoxybenzyl ester
SpectraBase Compound ID FyWlMkGcwF
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(26)17-14-18-25(27)30-21-22-15-13-16-23(20-22)28-2/h13,15-16,20H,3-12,14,17-19,21H2,1-2H3
InChIKey OJRNUDXRKTVKQD-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 EyeNdZhGWag
Name Glutaric acid, dodecyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(26)17-14-18-25(27)30-21-22-15-13-16-23(20-22)28-2/h13,15-16,20H,3-12,14,17-19,21H2,1-2H3
InChIKey OJRNUDXRKTVKQD-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(OCC1=CC=CC(OC)=C1)(=O)CCCC(OCCCCCCCCCCCC)=O