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Methyl 4'-butyl-4-hydroxy-2,6-dimethyl-5-phenethylbiphenyl-3-carboxylate

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Methyl 4'-butyl-4-hydroxy-2,6-dimethyl-5-phenethylbiphenyl-3-carboxylate
SpectraBase Compound ID B3Q1t5f1ODN
InChI InChI=1S/C28H32O3/c1-5-6-10-22-13-16-23(17-14-22)25-19(2)24(18-15-21-11-8-7-9-12-21)27(29)26(20(25)3)28(30)31-4/h7-9,11-14,16-17,29H,5-6,10,15,18H2,1-4H3
InChIKey UHRFNMFCYDLUJT-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C28H32O3
Exact Mass 416.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDpKUfT3JSc
Name Methyl 4'-butyl-4-hydroxy-2,6-dimethyl-5-phenethylbiphenyl-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.235144887 u
Formula C28H32O3
InChI InChI=1S/C28H32O3/c1-5-6-10-22-13-16-23(17-14-22)25-19(2)24(18-15-21-11-8-7-9-12-21)27(29)26(20(25)3)28(30)31-4/h7-9,11-14,16-17,29H,5-6,10,15,18H2,1-4H3
InChIKey UHRFNMFCYDLUJT-UHFFFAOYSA-N
Molecular Weight 416.561 g/mol
SMILES C=1(C(=C(CCC2=CC=CC=C2)C(=C(C1C)C=1C=CC(=CC1)CCCC)C)O)C(=O)OC