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5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-2-THIENO-[3,2-B]-THIOPHENECARBALDEHYDE
SpectraBase Compound ID CXQJk9aknez
InChI InChI=1S/C44H50OS2/c1-41(2,3)26-13-17-29-31(19-15-26)35(43(7,8)9)22-33(29)40(39-24-38-37(47-39)21-28(25-45)46-38)34-23-36(44(10,11)12)32-20-16-27(42(4,5)6)14-18-30(32)34/h13-25,40H,1-12H3
InChIKey IKJMMRBCOCSXRA-UHFFFAOYSA-N
Mol Weight 659.0 g/mol
Molecular Formula C44H50OS2
Exact Mass 658.330309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2T8IdcAQfjd
Name 5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-2-THIENO-[3,2-B]-THIOPHENECARBALDEHYDE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50OS2
InChI InChI=1S/C44H50OS2/c1-41(2,3)26-13-17-29-31(19-15-26)35(43(7,8)9)22-33(29)40(39-24-38-37(47-39)21-28(25-45)46-38)34-23-36(44(10,11)12)32-20-16-27(42(4,5)6)14-18-30(32)34/h13-25,40H,1-12H3
InChIKey IKJMMRBCOCSXRA-UHFFFAOYSA-N
Literature Reference Author S.ITO,S.KIKUCHI,T.OKUJIMA,N.MOTIRA,T.ASAO
Literature Reference Citation J.ORG.CHEM.,66,2470(2001)
Literature Reference DOI 10.1021/jo001709r
Molecular Weight 659.000 g/mol
Solvent CDCl3
Source File Reference UWLU26550