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CYGIIJPRKIKEQM-WLTNIFSVSA-N

View entire compound with spectra: 1 NMR

CYGIIJPRKIKEQM-WLTNIFSVSA-N
SpectraBase Compound ID Dqlp95GhL20
InChI InChI=1S/C50H40/c1-47(2,3)37-29-43-39-23-15-16-24-40(39)44-30-38(48(4,5)6)32-46-42-28-26-36-22-14-12-20-34(36)18-10-9-17-33-19-11-13-21-35(33)25-27-41(42)45(31-37)49(43,7)50(44,46)8/h11-16,19-24,29-32H,1-8H3/t49-,50-/m0/s1
InChIKey CYGIIJPRKIKEQM-WLTNIFSVSA-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 1njcXBkBk7s
Name CYGIIJPRKIKEQM-WLTNIFSVSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H40
InChI InChI=1S/C50H40/c1-47(2,3)37-29-43-39-23-15-16-24-40(39)44-30-38(48(4,5)6)32-46-42-28-26-36-22-14-12-20-34(36)18-10-9-17-33-19-11-13-21-35(33)25-27-41(42)45(31-37)49(43,7)50(44,46)8/h11-16,19-24,29-32H,1-8H3/t49-,50-/m0/s1
InChIKey CYGIIJPRKIKEQM-WLTNIFSVSA-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 UWVN23784