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Adipic acid, 3-phenoxybenzyl propyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 3-phenoxybenzyl propyl ester
SpectraBase Compound ID 18yryNmeMJL
InChI InChI=1S/C22H26O5/c1-2-15-25-21(23)13-6-7-14-22(24)26-17-18-9-8-12-20(16-18)27-19-10-4-3-5-11-19/h3-5,8-12,16H,2,6-7,13-15,17H2,1H3
InChIKey LBAXFHWAYMBSTD-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBQVPDKKLzS
Name Adipic acid, 3-phenoxybenzyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-2-15-25-21(23)13-6-7-14-22(24)26-17-18-9-8-12-20(16-18)27-19-10-4-3-5-11-19/h3-5,8-12,16H,2,6-7,13-15,17H2,1H3
InChIKey LBAXFHWAYMBSTD-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCC)=O