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Dimethyl 2,4-diphenyl-3-benzoxepine-1,5-dicarboxylate
SpectraBase Compound ID 6MtdecKdVm4
InChI InChI=1S/C26H20O5/c1-29-25(27)21-19-15-9-10-16-20(19)22(26(28)30-2)24(18-13-7-4-8-14-18)31-23(21)17-11-5-3-6-12-17/h3-16H,1-2H3
InChIKey YAXXBTNQJSPWAP-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C26H20O5
Exact Mass 412.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GaOEregb7e
Name DIMETHYL-2,4-DIPHENYL-3-BENZOXEPINE-1,5-DICARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H20O5
InChI InChI=1S/C26H20O5/c1-29-25(27)21-19-15-9-10-16-20(19)22(26(28)30-2)24(18-13-7-4-8-14-18)31-23(21)17-11-5-3-6-12-17/h3-16H,1-2H3
InChIKey YAXXBTNQJSPWAP-UHFFFAOYSA-N
Literature Reference Author R.A.F.METHESON,A.W.MCCULLOCH,A.G.MCINNES,D.G.SMITH
Literature Reference Citation CAN.J.CHEM.,55,1422(1977)
Literature Reference DOI 10.1139/v77-197
Molecular Weight 412.442 g/mol
Solvent CDCl3
Source File Reference UWED3769