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Methyl 4'-ethyl-4-(4'-ethylbiphenylcarbonyl)biphenyl-2-carboxylate

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

Methyl 4'-ethyl-4-(4'-ethylbiphenylcarbonyl)biphenyl-2-carboxylate
SpectraBase Compound ID CTWlL4xcRp2
InChI InChI=1S/C31H28O3/c1-4-21-10-14-23(15-11-21)26-8-6-7-9-28(26)30(32)25-18-19-27(29(20-25)31(33)34-3)24-16-12-22(5-2)13-17-24/h6-20H,4-5H2,1-3H3
InChIKey XXWQVGQPDUBVFH-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C31H28O3
Exact Mass 448.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Fr19XQAiH3
Name Methyl 4'-ethyl-4-(4'-ethylbiphenylcarbonyl)biphenyl-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.203844759 u
Formula C31H28O3
InChI InChI=1S/C31H28O3/c1-4-21-10-14-23(15-11-21)26-8-6-7-9-28(26)30(32)25-18-19-27(29(20-25)31(33)34-3)24-16-12-22(5-2)13-17-24/h6-20H,4-5H2,1-3H3
InChIKey XXWQVGQPDUBVFH-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
SMILES C=1(C(=CC=C(C(C=2C(C=3C=CC(=CC3)CC)=CC=CC2)=O)C1)C1=CC=C(C=C1)CC)C(=O)OC