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Adipic acid, pentyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Adipic acid, pentyl 3-phenoxybenzyl ester
SpectraBase Compound ID 9EpAXTLlAvw
InChI InChI=1S/C24H30O5/c1-2-3-9-17-27-23(25)15-7-8-16-24(26)28-19-20-11-10-14-22(18-20)29-21-12-5-4-6-13-21/h4-6,10-14,18H,2-3,7-9,15-17,19H2,1H3
InChIKey BLLGSZKJGOAEOB-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gtb1DwXJaox
Name Adipic acid, pentyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-2-3-9-17-27-23(25)15-7-8-16-24(26)28-19-20-11-10-14-22(18-20)29-21-12-5-4-6-13-21/h4-6,10-14,18H,2-3,7-9,15-17,19H2,1H3
InChIKey BLLGSZKJGOAEOB-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCCC)=O