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Adipic acid, 4-biphenyl pentyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 4-biphenyl pentyl ester
SpectraBase Compound ID 1xCM00afLbA
InChI InChI=1S/C23H28O4/c1-2-3-9-18-26-22(24)12-7-8-13-23(25)27-21-16-14-20(15-17-21)19-10-5-4-6-11-19/h4-6,10-11,14-17H,2-3,7-9,12-13,18H2,1H3
InChIKey CBYXWNCEOHMPON-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JI1WlGgruX
Name Adipic acid, 4-biphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-2-3-9-18-26-22(24)12-7-8-13-23(25)27-21-16-14-20(15-17-21)19-10-5-4-6-11-19/h4-6,10-11,14-17H,2-3,7-9,12-13,18H2,1H3
InChIKey CBYXWNCEOHMPON-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C(CCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCCC)=O