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Methyl 4-(3',5'-dimethylbiphenylcarbonyl)-3',5'-dimethylbiphenyl-2-carboxylate

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

Methyl 4-(3',5'-dimethylbiphenylcarbonyl)-3',5'-dimethylbiphenyl-2-carboxylate
SpectraBase Compound ID 50K7a42WOcq
InChI InChI=1S/C31H28O3/c1-19-12-20(2)15-24(14-19)26-8-6-7-9-28(26)30(32)23-10-11-27(29(18-23)31(33)34-5)25-16-21(3)13-22(4)17-25/h6-18H,1-5H3
InChIKey FMCHGWMSOMLYIQ-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 6qUl8JQAqXv
Name Methyl 4-(3',5'-dimethylbiphenylcarbonyl)-3',5'-dimethylbiphenyl-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/c1-19-12-20(2)15-24(14-19)26-8-6-7-9-28(26)30(32)23-10-11-27(29(18-23)31(33)34-5)25-16-21(3)13-22(4)17-25/h6-18H,1-5H3
InChIKey FMCHGWMSOMLYIQ-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
SMILES C=1(C(C2=CC(C)=CC(=C2)C)=CC=C(C(C=2C(C=3C=C(C)C=C(C3)C)=CC=CC2)=O)C1)C(=O)OC