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Benzyl 4'-butyl-4-hydroxy-2,6-dimethylbiphenyl-3-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl 4'-butyl-4-hydroxy-2,6-dimethylbiphenyl-3-carboxylate
SpectraBase Compound ID 5NCUO4cMMxU
InChI InChI=1S/C26H28O3/c1-4-5-9-20-12-14-22(15-13-20)24-18(2)16-23(27)25(19(24)3)26(28)29-17-21-10-7-6-8-11-21/h6-8,10-16,27H,4-5,9,17H2,1-3H3
InChIKey GXEYFRCUAJRNTB-UHFFFAOYSA-N
Mol Weight 388.51 g/mol
Molecular Formula C26H28O3
Exact Mass 388.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49SMQeG4om9
Name Benzyl 4'-butyl-4-hydroxy-2,6-dimethylbiphenyl-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 388.203844759 u
Formula C26H28O3
InChI InChI=1S/C26H28O3/c1-4-5-9-20-12-14-22(15-13-20)24-18(2)16-23(27)25(19(24)3)26(28)29-17-21-10-7-6-8-11-21/h6-8,10-16,27H,4-5,9,17H2,1-3H3
InChIKey GXEYFRCUAJRNTB-UHFFFAOYSA-N
Molecular Weight 388.507 g/mol
SMILES C1(=C(C(C2=CC=C(C=C2)CCCC)=C(C=C1O)C)C)C(OCC=1C=CC=CC1)=O