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5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-2-THIOPHENECARBALDEHYDE
SpectraBase Compound ID LdB0BduE9tQ
InChI InChI=1S/C42H50OS/c1-39(2,3)26-13-18-29-31(20-15-26)35(41(7,8)9)23-33(29)38(37-22-17-28(25-43)44-37)34-24-36(42(10,11)12)32-21-16-27(40(4,5)6)14-19-30(32)34/h13-25,38H,1-12H3
InChIKey FHKHYYNGLRFGHI-UHFFFAOYSA-N
Mol Weight 602.9 g/mol
Molecular Formula C42H50OS
Exact Mass 602.358237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLSJCa2tOBC
Name 5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-2-THIOPHENECARBALDEHYDE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50OS
InChI InChI=1S/C42H50OS/c1-39(2,3)26-13-18-29-31(20-15-26)35(41(7,8)9)23-33(29)38(37-22-17-28(25-43)44-37)34-24-36(42(10,11)12)32-21-16-27(40(4,5)6)14-19-30(32)34/h13-25,38H,1-12H3
InChIKey FHKHYYNGLRFGHI-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 602.918 g/mol
Solvent CDCl3
Source File Reference UWLU26543