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1,2-BIS-(1-METHOXYCARBONYL-2-AZULENYL)-3,4,5,6-TETRAPHENYLBENZENE
SpectraBase Compound ID JozsbX57b7K
InChI InChI=1S/C54H38O4/c1-57-53(55)49-41-31-19-7-17-29-39(41)33-43(49)51-47(37-25-13-5-14-26-37)45(35-21-9-3-10-22-35)46(36-23-11-4-12-24-36)48(38-27-15-6-16-28-38)52(51)44-34-40-30-18-8-20-32-42(40)50(44)54(56)58-2/h3-34H,1-2H3
InChIKey GMIJXZDLFMKDDH-UHFFFAOYSA-N
Mol Weight 750.9 g/mol
Molecular Formula C54H38O4
Exact Mass 750.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hdmdp43xV8k
Name 1,2-BIS-(1-METHOXYCARBONYL-2-AZULENYL)-3,4,5,6-TETRAPHENYLBENZENE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H38O4
InChI InChI=1S/C54H38O4/c1-57-53(55)49-41-31-19-7-17-29-39(41)33-43(49)51-47(37-25-13-5-14-26-37)45(35-21-9-3-10-22-35)46(36-23-11-4-12-24-36)48(38-27-15-6-16-28-38)52(51)44-34-40-30-18-8-20-32-42(40)50(44)54(56)58-2/h3-34H,1-2H3
InChIKey GMIJXZDLFMKDDH-UHFFFAOYSA-N
Literature Reference Author S.ITO,A.NOMURA,N.MORITA,C.KABUTO,H.KOBAYASHI,S.MAEJIMA,K.FUJ IMORI,M.YASUNAMI
Literature Reference Citation J.ORG.CHEM.,67,7295(2002)
Literature Reference DOI 10.1021/jo020381u
Molecular Weight 750.893 g/mol
Solvent CDCl3
Source File Reference UWVN23611