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XDKUBWGIAPWKCB-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

XDKUBWGIAPWKCB-UHFFFAOYSA-N
SpectraBase Compound ID 3zM8fKA9dnc
InChI InChI=1S/C37B2F30N.C19H16/c40-8-2(9(41)21(53)32(64)20(8)52)38(3-10(42)22(54)33(65)23(55)11(3)43,4-12(44)24(56)34(66)25(57)13(4)45)1-70-39(5-14(46)26(58)35(67)27(59)15(5)47,6-16(48)28(60)36(68)29(61)17(6)49)7-18(50)30(62)37(69)31(63)19(7)51;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h;1-15,19H/q-1;
InChIKey XDKUBWGIAPWKCB-UHFFFAOYSA-N
Mol Weight 1294.3 g/mol
Molecular Formula C56H16B2F30N
Exact Mass 1294.09898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxqnJ0dHUwB
Name XDKUBWGIAPWKCB-UHFFFAOYSA-N
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H16B2F30N
InChI InChI=1S/C37B2F30N.C19H16/c40-8-2(9(41)21(53)32(64)20(8)52)38(3-10(42)22(54)33(65)23(55)11(3)43,4-12(44)24(56)34(66)25(57)13(4)45)1-70-39(5-14(46)26(58)35(67)27(59)15(5)47,6-16(48)28(60)36(68)29(61)17(6)49)7-18(50)30(62)37(69)31(63)19(7)51;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h;1-15,19H/q-1;
InChIKey XDKUBWGIAPWKCB-UHFFFAOYSA-N
Literature Reference Author J.ZHOU,S.J.LANCASTER,D.A.WALKER,S.BECK,M.THORNTON-PETT,M.BOC HMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,223(2001)
Literature Reference DOI 10.1021/ja002820h
Molecular Weight 1294.322 g/mol
Solvent CDCl3
Source File Reference UWVN27842