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Glutaric acid, decyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, decyl 3-phenoxybenzyl ester
SpectraBase Compound ID 2ahoLMJpMKR
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-12-21-31-27(29)19-14-20-28(30)32-23-24-15-13-18-26(22-24)33-25-16-10-9-11-17-25/h9-11,13,15-18,22H,2-8,12,14,19-21,23H2,1H3
InChIKey CBUQBNFFGUWANU-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNqScYOJgOL
Name Glutaric acid, decyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-12-21-31-27(29)19-14-20-28(30)32-23-24-15-13-18-26(22-24)33-25-16-10-9-11-17-25/h9-11,13,15-18,22H,2-8,12,14,19-21,23H2,1H3
InChIKey CBUQBNFFGUWANU-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES CCCCCCCCCCOC(CCCC(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O)=O