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1,2:9,10-DIBENZO-5,6-[2.2]-PARACYCLOPHANO-3,4,7,8,11,12,13,14-OCTADEHYDRO-[14]-ANNULENE
SpectraBase Compound ID 8tUzThkOFoH
InChI InChI=1S/C36H22/c1-2-8-30-10-4-6-12-32(30)24-26-36-34-20-18-28-15-13-27(14-16-28)17-19-33(21-22-34)35(36)25-23-31-11-5-3-9-29(31)7-1/h3-6,9-16,21-22H,17-20H2
InChIKey SVPXGYGFKPOOFM-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C36H22
Exact Mass 454.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DdLAhW80A8
Name 1,2:9,10-DIBENZO-5,6-[2.2]-PARACYCLOPHANO-3,4,7,8,11,12,13,14-OCTADEHYDRO-[14]-ANNULENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H22
InChI InChI=1S/C36H22/c1-2-8-30-10-4-6-12-32(30)24-26-36-34-20-18-28-15-13-27(14-16-28)17-19-33(21-22-34)35(36)25-23-31-11-5-3-9-29(31)7-1/h3-6,9-16,21-22H,17-20H2
InChIKey SVPXGYGFKPOOFM-UHFFFAOYSA-N
Literature Reference Author H.HINRICHS,A.K.FISCHER,P.G.JONES,H.HOPF,M.M.HALEY
Literature Reference Citation ORG.LETTERS,7,3793(2005)
Literature Reference DOI 10.1021/ol0514552
Molecular Weight 454.571 g/mol
Sample ID 62650
Solvent CDCl3