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2,4,9,11,14,16,21,23-OCTAHYDRO-2,11:4,9:14,23:16,21-TETRAMETHANODECACENE
SpectraBase Compound ID I9pVJWvmQoR
InChI InChI=1S/C46H32/c1-2-6-24-23(5-1)31-13-32(24)40-18-44-36-15-35(43(44)17-39(31)40)27-9-21-11-29-30(12-22(21)10-28(27)36)38-16-37(29)45-19-41-33-14-34(42(41)20-46(38)45)26-8-4-3-7-25(26)33/h1-12,17-20,31-38H,13-16H2/t31-,32+,33+,34-,35+,36-,37-,38+
InChIKey PKLKTROOGMUQMM-JOAZSGDVSA-N
Mol Weight 584.8 g/mol
Molecular Formula C46H32
Exact Mass 584.250401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jLIsaOf871
Name 2,4,9,11,14,16,21,23-OCTAHYDRO-2,11:4,9:14,23:16,21-TETRAMETHANODECACENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H32
InChI InChI=1S/C46H32/c1-2-6-24-23(5-1)31-13-32(24)40-18-44-36-15-35(43(44)17-39(31)40)27-9-21-11-29-30(12-22(21)10-28(27)36)38-16-37(29)45-19-41-33-14-34(42(41)20-46(38)45)26-8-4-3-7-25(26)33/h1-12,17-20,31-38H,13-16H2/t31-,32+,33+,34-,35+,36-,37-,38+
InChIKey PKLKTROOGMUQMM-JOAZSGDVSA-N
Literature Reference Author F.G.KLAERNER,U.BURKERT,M.KAMIETH,R.BOESE,J.BENET-BUCHHOLZ
Literature Reference Citation CHEM.EUR.J.,5,1700(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990604)5:6<1700::aid-chem1700>3.3.co;2-0
Molecular Weight 584.760 g/mol
Solvent CDCl3
Source File Reference UWRU9683