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5-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-2-THIENO-[3,2-B]-THIOPHENECARBALDEHYDE
SpectraBase Compound ID 3Qsr5DF0gIY
InChI InChI=1S/C30H22OS2/c1-18-13-25(23-11-7-3-5-9-21(18)23)30(29-16-28-27(33-29)15-20(17-31)32-28)26-14-19(2)22-10-6-4-8-12-24(22)26/h3-17,30H,1-2H3
InChIKey NNIBPSGOPZDZJL-UHFFFAOYSA-N
Mol Weight 462.63 g/mol
Molecular Formula C30H22OS2
Exact Mass 462.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgD0KNKVLUO
Name 5-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-2-THIENO-[3,2-B]-THIOPHENECARBALDEHYDE
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H22OS2
InChI InChI=1S/C30H22OS2/c1-18-13-25(23-11-7-3-5-9-21(18)23)30(29-16-28-27(33-29)15-20(17-31)32-28)26-14-19(2)22-10-6-4-8-12-24(22)26/h3-17,30H,1-2H3
InChIKey NNIBPSGOPZDZJL-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 462.624 g/mol
Solvent CDCl3
Source File Reference UWLU26545