(E,E)-3,5-BIS-[2-[3,4,5-(1,1-DIDEUTERIOTRIDODECYLOXY)-PHENYL]-ETHENYL]-BENZALDEHYDE

SpectraBase Compound ID	41sQOhm4zPP
InChI	InChI=1S/C95H162O7/c1-7-13-19-25-31-37-43-49-55-61-71-97-90-80-87(81-91(98-72-62-56-50-44-38-32-26-20-14-8-2)94(90)101-75-65-59-53-47-41-35-29-23-17-11-5)69-67-85-77-86(79-89(78-85)84-96)68-70-88-82-92(99-73-63-57-51-45-39-33-27-21-15-9-3)95(102-76-66-60-54-48-42-36-30-24-18-12-6)93(83-88)100-74-64-58-52-46-40-34-28-22-16-10-4/h67-70,77-84H,7-66,71-76H2,1-6H3/b69-67+,70-68+/i71D2,72D2,73D2,74D2,75D2,76D2
InChIKey	HEBHWEYKQSAMJM-OKPYRQCKSA-N Google Search
Mol Weight	1428.4 g/mol
Molecular Formula	C95H1502H12O7
Exact Mass	1427.307379 g/mol

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SpectraBase Spectrum ID	2GNB8JRLgRd
Name	(E,E)-3,5-BIS-[2-[3,4,5-(1,1-DIDEUTERIOTRIDODECYLOXY)-PHENYL]-ETHENYL]-BENZALDEHYDE
Compound Number	10B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C95H1502H12O7
InChI	InChI=1S/C95H162O7/c1-7-13-19-25-31-37-43-49-55-61-71-97-90-80-87(81-91(98-72-62-56-50-44-38-32-26-20-14-8-2)94(90)101-75-65-59-53-47-41-35-29-23-17-11-5)69-67-85-77-86(79-89(78-85)84-96)68-70-88-82-92(99-73-63-57-51-45-39-33-27-21-15-9-3)95(102-76-66-60-54-48-42-36-30-24-18-12-6)93(83-88)100-74-64-58-52-46-40-34-28-22-16-10-4/h67-70,77-84H,7-66,71-76H2,1-6H3/b69-67+,70-68+/i71D2,72D2,73D2,74D2,75D2,76D2
InChIKey	HEBHWEYKQSAMJM-OKPYRQCKSA-N
Literature Reference Author	M.LEHMANN,I.FISHBACH,H.WW.SPIESS,H.MEIER
Literature Reference Citation	J.AM.CHEM.SOC.,126,772(2004)
Literature Reference DOI	10.1021/ja0366179
Molecular Weight	1428.401 g/mol
Solvent	CDCl3
Source File Reference	UWLU36631