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4-Methoxycarbonyl-1-methyl-2,3,5-exo-triphenylbicyclo[2.2.1]hept-2-en-7-one
SpectraBase Compound ID Aii5ClL0OBz
InChI InChI=1S/C28H24O3/c1-27-18-22(19-12-6-3-7-13-19)28(25(27)29,26(30)31-2)24(21-16-10-5-11-17-21)23(27)20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3/t22-,27-,28-/m0/s1
InChIKey AGORGYKAKCLXJP-FAQZDJIUSA-N
Mol Weight 408.5 g/mol
Molecular Formula C28H24O3
Exact Mass 408.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TDt3OyQR7m
Name 4-METHOXYCARBONYL-1-METHYL-2,3,5-EXO-TRIPHENYLBICYCLO-[2.2.1]-HEPT-2-EN-7-ONE
Compound Number 3AD''
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O3
InChI InChI=1S/C28H24O3/c1-27-18-22(19-12-6-3-7-13-19)28(25(27)29,26(30)31-2)24(21-16-10-5-11-17-21)23(27)20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3/t22-,27-,28-/m0/s1
InChIKey AGORGYKAKCLXJP-FAQZDJIUSA-N
Literature Reference Author T.JIKYO,M.ETO,K.HARANO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3463(1998)
Literature Reference DOI 10.1039/a804671i
Molecular Weight 408.497 g/mol
Solvent CDCl3
Source File Reference UWSI7354