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hexaspiro[2.4.2^{8}.4.2^{15}.4.2^{22}.4.2^{29}.4.2^{36}.4^{3}]dotetraconta-4,6,11,13,18,20,25,27,32,34,39,41-dodecayne
SpectraBase Compound ID GNamOalI4i7
InChI InChI=1S/C42H24/c1-2-14-38(27-28-38)16-5-6-18-40(31-32-40)20-9-10-22-42(35-36-42)24-12-11-23-41(33-34-41)21-8-7-19-39(29-30-39)17-4-3-15-37(13-1)25-26-37/h25-36H2
InChIKey CRIXYJOPERLNQH-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C42H24
Exact Mass 528.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 726lgu6Vjb6
Name hexaspiro[2.4.2^{8}.4.2^{15}.4.2^{22}.4.2^{29}.4.2^{36}.4^{3}]dotetraconta-4,6,11,13,18,20,25,27,32,34,39,41-dodecayne
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H24
InChI InChI=1S/C42H24/c1-2-14-38(27-28-38)16-5-6-18-40(31-32-40)20-9-10-22-42(35-36-42)24-12-11-23-41(33-34-41)21-8-7-19-39(29-30-39)17-4-3-15-37(13-1)25-26-37/h25-36H2
InChIKey CRIXYJOPERLNQH-UHFFFAOYSA-N
Literature Reference Author L.T.SCOTT,M.J.COONEY,C.OTTE,C.PULS,T.HAUMANN,R.BOESE,P.J.CAR ROLL,A.B.SMITH,A.DEM
Literature Reference Citation J.AM.CHEM.SOC.,116,10275(1994)
Literature Reference DOI 10.1021/ja00101a051
Molecular Weight 528.653 g/mol
Solvent CDCl3
Source File Reference UWSI195