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Adipic acid, butyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Adipic acid, butyl 3-phenoxybenzyl ester
SpectraBase Compound ID 49n0NTaUQ37
InChI InChI=1S/C23H28O5/c1-2-3-16-26-22(24)14-7-8-15-23(25)27-18-19-10-9-13-21(17-19)28-20-11-5-4-6-12-20/h4-6,9-13,17H,2-3,7-8,14-16,18H2,1H3
InChIKey FNYVNVFBTDWZPE-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97dnyfJDIwJ
Name Adipic acid, butyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-2-3-16-26-22(24)14-7-8-15-23(25)27-18-19-10-9-13-21(17-19)28-20-11-5-4-6-12-20/h4-6,9-13,17H,2-3,7-8,14-16,18H2,1H3
InChIKey FNYVNVFBTDWZPE-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCC)=O