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BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-2-THIENYLMETHANE
SpectraBase Compound ID 3opOcUw23My
InChI InChI=1S/C41H50S/c1-38(2,3)26-15-19-28-30(21-17-26)34(40(7,8)9)24-32(28)37(36-14-13-23-42-36)33-25-35(41(10,11)12)31-22-18-27(39(4,5)6)16-20-29(31)33/h13-25,37H,1-12H3
InChIKey HQVSESWDDQEUEK-UHFFFAOYSA-N
Mol Weight 574.9 g/mol
Molecular Formula C41H50S
Exact Mass 574.363323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88BA10wNvF4
Name BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-2-THIENYLMETHANE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H50S
InChI InChI=1S/C41H50S/c1-38(2,3)26-15-19-28-30(21-17-26)34(40(7,8)9)24-32(28)37(36-14-13-23-42-36)33-25-35(41(10,11)12)31-22-18-27(39(4,5)6)16-20-29(31)33/h13-25,37H,1-12H3
InChIKey HQVSESWDDQEUEK-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 574.908 g/mol
Solvent CDCl3
Source File Reference UWLU26533