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2,5-BIS-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-THIOPHENE

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2,5-BIS-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-THIOPHENE
SpectraBase Compound ID 5AqUipdRseX
InChI InChI=1S/C50H40S/c1-31-27-43(39-21-13-5-9-17-35(31)39)49(44-28-32(2)36-18-10-6-14-22-40(36)44)47-25-26-48(51-47)50(45-29-33(3)37-19-11-7-15-23-41(37)45)46-30-34(4)38-20-12-8-16-24-42(38)46/h5-30,49-50H,1-4H3
InChIKey MJANEVFGXCQIIC-UHFFFAOYSA-N
Mol Weight 672.9 g/mol
Molecular Formula C50H40S
Exact Mass 672.285072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImFFyGr7BIj
Name 2,5-BIS-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-THIOPHENE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H40S
InChI InChI=1S/C50H40S/c1-31-27-43(39-21-13-5-9-17-35(31)39)49(44-28-32(2)36-18-10-6-14-22-40(36)44)47-25-26-48(51-47)50(45-29-33(3)37-19-11-7-15-23-41(37)45)46-30-34(4)38-20-12-8-16-24-42(38)46/h5-30,49-50H,1-4H3
InChIKey MJANEVFGXCQIIC-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 672.928 g/mol
Solvent CDCl3
Source File Reference UWLU26540