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BIS-(3-METHYL-1-AZULENYL)-(3-THIENYL)-METHYLIUM-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID IrBTEnYQCQP
InChI InChI=1S/C27H22S.F6P/c1-18-15-25(23-11-7-3-5-9-21(18)23)27(20-13-14-28-17-20)26-16-19(2)22-10-6-4-8-12-24(22)26;1-7(2,3,4,5)6/h3-17,27H,1-2H3;/q;-1
InChIKey PLEQPMSFPVSNTR-UHFFFAOYSA-N
Mol Weight 523.5 g/mol
Molecular Formula C27H22F6PS
Exact Mass 523.108403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pscqokydDm
Name BIS-(3-METHYL-1-AZULENYL)-(3-THIENYL)-METHYLIUM-HEXAFLUOROPHOSPHATE
Compound Number 8A.PF6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22F6PS
InChI InChI=1S/C27H22S.F6P/c1-18-15-25(23-11-7-3-5-9-21(18)23)27(20-13-14-28-17-20)26-16-19(2)22-10-6-4-8-12-24(22)26;1-7(2,3,4,5)6/h3-17,27H,1-2H3;/q;-1
InChIKey PLEQPMSFPVSNTR-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 523.496 g/mol
Solvent CDCl3
Source File Reference UWLU26538