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JABHDJNKVHXWAD-HFDYVGAYSA-N
SpectraBase Compound ID C5sAxrYJa2k
InChI InChI=1S/C50H40/c1-33-45-29-39(49(3,4)5)31-47(33)43-27-25-37-21-13-11-19-35(37)17-9-10-18-36-20-12-14-22-38(36)26-28-44(43)48-32-40(50(6,7)8)30-46(34(48)2)42-24-16-15-23-41(42)45/h11-16,19-24,29-32H,1-8H3/b44-43-
InChIKey JABHDJNKVHXWAD-HFDYVGAYSA-N
Mol Weight 640.9 g/mol
Molecular Formula C50H40
Exact Mass 640.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzcioE8ZBHG
Name JABHDJNKVHXWAD-HFDYVGAYSA-N
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H40
InChI InChI=1S/C50H40/c1-33-45-29-39(49(3,4)5)31-47(33)43-27-25-37-21-13-11-19-35(37)17-9-10-18-36-20-12-14-22-38(36)26-28-44(43)48-32-40(50(6,7)8)30-46(34(48)2)42-24-16-15-23-41(42)45/h11-16,19-24,29-32H,1-8H3/b44-43-
InChIKey JABHDJNKVHXWAD-HFDYVGAYSA-N
Literature Reference Author D.B.KIMBALL,M.M.HALEY
Literature Reference Citation J.ORG.CHEM.,67,8798(2002)
Literature Reference DOI 10.1021/jo020462q
Molecular Weight 640.868 g/mol
Solvent CDCl3
Source File Reference UWVN23785