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FIZHJWAAJUWZPV-UHFFFAOYSA-N
SpectraBase Compound ID D6LKtaNJxnl
InChI InChI=1S/C44H44N4O8/c1-49-37-21-38(50-2)30-17-29(37)25(9-13-45)31-18-32(40(52-4)22-39(31)51-3)27(11-15-47)35-20-36(44(56-8)24-43(35)55-7)28(12-16-48)34-19-33(26(30)10-14-46)41(53-5)23-42(34)54-6/h17-28H,9-12H2,1-8H3
InChIKey FIZHJWAAJUWZPV-UHFFFAOYSA-N
Mol Weight 756.9 g/mol
Molecular Formula C44H44N4O8
Exact Mass 756.315914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xMFvlpoccz
Name #2A;R-2,C-8,C-14,C-20-TETRAKIS-(CYANOMETHYL)-PENTACYCLO-[19.3.1.13.7]-OCTACOSA-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-DODECAEN-4,6,10,12,16,18,22,24-OC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44N4O8
InChI InChI=1S/C44H44N4O8/c1-49-37-21-38(50-2)30-17-29(37)25(9-13-45)31-18-32(40(52-4)22-39(31)51-3)27(11-15-47)35-20-36(44(56-8)24-43(35)55-7)28(12-16-48)34-19-33(26(30)10-14-46)41(53-5)23-42(34)54-6/h17-28H,9-12H2,1-8H3
InChIKey FIZHJWAAJUWZPV-UHFFFAOYSA-N
Literature Reference Author B.BOTTA,G.D.MONACHE,G.ZAPPIA,D.MISITI,M.C.BARATTO,R.POGNI,E. G.BAITZ,M.BOTTA,F.CO
Literature Reference Citation J.ORG.CHEM.,67,1178(2002)
Literature Reference DOI 10.1021/jo010844g
Molecular Weight 756.855 g/mol
Solvent Unknown
Source File Reference UWLU24867