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2,2A,3,4,9,10,10A,11,14,14A,15,16,21,22,22A,23-HEXADECAHYDRO-2,11:4,9:14,23:16,21-TETRAMETHANODECACENE
SpectraBase Compound ID 841ebR7E9yK
InChI InChI=1S/C46H40/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/h1-12,31-38,43-46H,13-20H2/t31-,32+,33+,34-,35+,36-,37-,38+,43+,44-,45?,46?
InChIKey FJIAVJYAAWSVMX-RZDRIMSMSA-N
Mol Weight 592.8 g/mol
Molecular Formula C46H40
Exact Mass 592.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZj6zqPYSNi
Name 2,2A,3,4,9,10,10A,11,14,14A,15,16,21,22,22A,23-HEXADECAHYDRO-2,11:4,9:14,23:16,21-TETRAMETHANODECACENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H40
InChI InChI=1S/C46H40/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/h1-12,31-38,43-46H,13-20H2/t31-,32+,33+,34-,35+,36-,37-,38+,43+,44-,45?,46?
InChIKey FJIAVJYAAWSVMX-RZDRIMSMSA-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 592.824 g/mol
Solvent CDCl3
Source File Reference UWRU9682