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XJRIUPWTLHVNIB-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR

XJRIUPWTLHVNIB-UHFFFAOYSA-N
SpectraBase Compound ID KYDO3FZxrak
InChI InChI=1S/C24BF20.C15H27NSi.C7H12O.Ti/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;1-4-5-6-7(2,3)8;/h;1-9H3;1,4H,5-6H2,2-3H3;/q3*-1;+3
InChIKey XJRIUPWTLHVNIB-UHFFFAOYSA-N
Mol Weight 1088.6 g/mol
Molecular Formula C46H39BF20NOSiTi
Exact Mass 1088.205401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwTD6lPIOKf
Name XJRIUPWTLHVNIB-UHFFFAOYSA-N
Compound Number 5B'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H39BF20NOSiTi
InChI InChI=1S/C24BF20.C15H27NSi.C7H12O.Ti/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;1-4-5-6-7(2,3)8;/h;1-9H3;1,4H,5-6H2,2-3H3;/q3*-1;+3
InChIKey XJRIUPWTLHVNIB-UHFFFAOYSA-N
Literature Reference Author J.F.CARPENTIER,V.P.MARYIN,J.LUCI,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,123,898(2001)
Literature Reference DOI 10.1021/ja003209l
Molecular Weight 1088.565 g/mol
Solvent CD2Cl2
Source File Reference UWSI23396