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RLEPTRNPFWSFCV-YBBKXUDXSA-N
SpectraBase Compound ID 3biKWC4rUwK
InChI InChI=1S/C60H61N7O11SSi/c1-60(2,3)80(42-25-15-7-16-26-42,43-27-17-8-18-28-43)75-33-30-46-45(50(69)55(76-46)67-38-63-49-52(61-37-62-53(49)67)65-54(70)39-19-9-4-10-20-39)36-79-34-31-47-44(35-74-57(71)40-21-11-5-12-22-40)51(78-58(72)41-23-13-6-14-24-41)56(77-47)66-32-29-48(68)64-59(66)73/h4-29,32,37-38,44-47,50-51,55-56,69H,30-31,33-36H2,1-3H3,(H,64,68,73)(H,61,62,65,70)/t44-,45+,46+,47-,50+,51-,55+,56-/m1/s1
InChIKey RLEPTRNPFWSFCV-YBBKXUDXSA-N
Mol Weight 1116.3 g/mol
Molecular Formula C60H61N7O11SSi
Exact Mass 1115.391904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aim5LcRT5jv
Name RLEPTRNPFWSFCV-YBBKXUDXSA-N
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H61N7O11SSi
InChI InChI=1S/C60H61N7O11SSi/c1-60(2,3)80(42-25-15-7-16-26-42,43-27-17-8-18-28-43)75-33-30-46-45(50(69)55(76-46)67-38-63-49-52(61-37-62-53(49)67)65-54(70)39-19-9-4-10-20-39)36-79-34-31-47-44(35-74-57(71)40-21-11-5-12-22-40)51(78-58(72)41-23-13-6-14-24-41)56(77-47)66-32-29-48(68)64-59(66)73/h4-29,32,37-38,44-47,50-51,55-56,69H,30-31,33-36H2,1-3H3,(H,64,68,73)(H,61,62,65,70)/t44-,45+,46+,47-,50+,51-,55+,56-/m1/s1
InChIKey RLEPTRNPFWSFCV-YBBKXUDXSA-N
Literature Reference Author C.RICHERT,A.L.ROUGHTON,S.A.BENNER
Literature Reference Citation J.AM.CHEM.SOC.,118,4518(1996)
Literature Reference DOI 10.1021/ja952322m
Molecular Weight 1116.330 g/mol
Sample ID 57100
Solvent CDCl3