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OWBHBGWAGRQMKF-CBEDATCPSA-N
SpectraBase Compound ID 1xhghKOKaxO
InChI InChI=1S/C54H73ClN4O13Si3/c1-52(2,3)73(10,11)71-44-39(68-48(59-31-29-42(61)57-51(59)64)46(44)72-74(12,13)53(4,5)6)32-65-34-66-43-40(33-67-75(54(7,8)9,35-22-16-14-17-23-35)36-24-18-15-19-25-36)69-47(58-30-28-41(60)56-50(58)63)45(43)70-49(62)37-26-20-21-27-38(37)55/h14-31,39-40,43-48H,32-34H2,1-13H3,(H,56,60,63)(H,57,61,64)/t39-,40-,43-,44-,45-,46-,47-,48-/m0/s1
InChIKey OWBHBGWAGRQMKF-CBEDATCPSA-N
Mol Weight 1105.9 g/mol
Molecular Formula C54H73ClN4O13Si3
Exact Mass 1104.417046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bw0GVkM1gCY
Name OWBHBGWAGRQMKF-CBEDATCPSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H73ClN4O13Si3
InChI InChI=1S/C54H73ClN4O13Si3/c1-52(2,3)73(10,11)71-44-39(68-48(59-31-29-42(61)57-51(59)64)46(44)72-74(12,13)53(4,5)6)32-65-34-66-43-40(33-67-75(54(7,8)9,35-22-16-14-17-23-35)36-24-18-15-19-25-36)69-47(58-30-28-41(60)56-50(58)63)45(43)70-49(62)37-26-20-21-27-38(37)55/h14-31,39-40,43-48H,32-34H2,1-13H3,(H,56,60,63)(H,57,61,64)/t39-,40-,43-,44-,45-,46-,47-,48-/m0/s1
InChIKey OWBHBGWAGRQMKF-CBEDATCPSA-N
Literature Reference Author E.ROZNERS,R.STROEMBERG
Literature Reference Citation J.ORG.CHEM.,62,1846(1997)
Literature Reference DOI 10.1021/jo962080o
Molecular Weight 1105.902 g/mol
Solvent CDCl3
Source File Reference UWCS23595