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BIS-(1,3-DIETHOXYCARBONYL-6-AZULENYL)-DIACETYLENE
SpectraBase Compound ID 2F1yhAlIxIK
InChI InChI=1S/C36H30O8/c1-5-41-33(37)29-21-30(34(38)42-6-2)26-18-14-23(13-17-25(26)29)11-9-10-12-24-15-19-27-28(20-16-24)32(36(40)44-8-4)22-31(27)35(39)43-7-3/h13-22H,5-8H2,1-4H3
InChIKey LERIABWHGQCCTQ-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C36H30O8
Exact Mass 590.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1F3iU2gFyR5
Name BIS-(1,3-DIETHOXYCARBONYL-6-AZULENYL)-DIACETYLENE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30O8
InChI InChI=1S/C36H30O8/c1-5-41-33(37)29-21-30(34(38)42-6-2)26-18-14-23(13-17-25(26)29)11-9-10-12-24-15-19-27-28(20-16-24)32(36(40)44-8-4)22-31(27)35(39)43-7-3/h13-22H,5-8H2,1-4H3
InChIKey LERIABWHGQCCTQ-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,T.OKUJIMA,N.MORITA,M.WATANABE,N.HARADA,K.IMAFU KU
Literature Reference Citation J.ORG.CHEM.,66,7090(2001)
Literature Reference DOI 10.1021/jo010540u
Molecular Weight 590.629 g/mol
Solvent CDCl3
Source File Reference UWVN26551