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5-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-2-THIOPHENECARBALDEHYDE
SpectraBase Compound ID CwHy3qW5UOm
InChI InChI=1S/C28H22OS/c1-18-15-25(23-11-7-3-5-9-21(18)23)28(27-14-13-20(17-29)30-27)26-16-19(2)22-10-6-4-8-12-24(22)26/h3-17,28H,1-2H3
InChIKey RDHAUCQLLCZBGY-UHFFFAOYSA-N
Mol Weight 406.54 g/mol
Molecular Formula C28H22OS
Exact Mass 406.139137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C39VdBSIKVs
Name 5-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-2-THIOPHENECARBALDEHYDE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22OS
InChI InChI=1S/C28H22OS/c1-18-15-25(23-11-7-3-5-9-21(18)23)28(27-14-13-20(17-29)30-27)26-16-19(2)22-10-6-4-8-12-24(22)26/h3-17,28H,1-2H3
InChIKey RDHAUCQLLCZBGY-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 406.542 g/mol
Solvent CDCl3
Source File Reference UWLU26541