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3,3'-DICHLOROCANTHAXANTHIN
SpectraBase Compound ID IJWka8ULlCv
InChI InChI=1S/C40H50Cl2O2/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey RUEAXPHENOEVRZ-QISQUURKSA-N
Mol Weight 633.7 g/mol
Molecular Formula C40H50Cl2O2
Exact Mass 632.318786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1tNPNxfw1b
Name 3,3'-DICHLOROCANTHAXANTHIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H50Cl2O2
InChI InChI=1S/C40H50Cl2O2/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey RUEAXPHENOEVRZ-QISQUURKSA-N
Literature Reference Author J.LIU,N.L.SHELTON,R.S.H.LIU
Literature Reference Citation ORG.LETTERS,4,2521(2002)
Literature Reference DOI 10.1021/ol026146f
Molecular Weight 633.742 g/mol
Sample ID 28365
Solvent CDCl3