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Adipic acid, hexyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Adipic acid, hexyl 3-phenoxybenzyl ester
SpectraBase Compound ID CrrZn06mUfD
InChI InChI=1S/C25H32O5/c1-2-3-4-10-18-28-24(26)16-8-9-17-25(27)29-20-21-12-11-15-23(19-21)30-22-13-6-5-7-14-22/h5-7,11-15,19H,2-4,8-10,16-18,20H2,1H3
InChIKey PWRXIEMBZLYNGH-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G943Vafb8tN
Name Adipic acid, hexyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-2-3-4-10-18-28-24(26)16-8-9-17-25(27)29-20-21-12-11-15-23(19-21)30-22-13-6-5-7-14-22/h5-7,11-15,19H,2-4,8-10,16-18,20H2,1H3
InChIKey PWRXIEMBZLYNGH-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCCCC)=O