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LYNDKMLQBNHILQ-UHFFFAOYSA-N

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LYNDKMLQBNHILQ-UHFFFAOYSA-N
SpectraBase Compound ID IcE2RFHjmuY
InChI InChI=1S/C45H52OSSi3.3C5H.3Fe/c1-48(2,42-16-7-8-17-42)33-13-30-45(31-14-34-49(3,4)43-18-9-10-19-43,32-15-35-50(5,6)44-20-11-12-21-44)40-26-28-41(29-27-40)46-36-38-22-24-39(37-47)25-23-38;3*1-2-4-5-3-1;;;/h16,18,20,22-29,47H,13-15,30-37H2,1-6H3;3*1H;;;
InChIKey LYNDKMLQBNHILQ-UHFFFAOYSA-N
Mol Weight 1075.9 g/mol
Molecular Formula C60H55Fe3OSSi3
Exact Mass 1075.13295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FB5I7boEbQX
Name LYNDKMLQBNHILQ-UHFFFAOYSA-N
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H55Fe3OSSi3
InChI InChI=1S/C45H52OSSi3.3C5H.3Fe/c1-48(2,42-16-7-8-17-42)33-13-30-45(31-14-34-49(3,4)43-18-9-10-19-43,32-15-35-50(5,6)44-20-11-12-21-44)40-26-28-41(29-27-40)46-36-38-22-24-39(37-47)25-23-38;3*1-2-4-5-3-1;;;/h16,18,20,22-29,47H,13-15,30-37H2,1-6H3;3*1H;;;
InChIKey LYNDKMLQBNHILQ-UHFFFAOYSA-N
Literature Reference Author M.C.DANIEL,J.RUIZ,S.NLATE,J.C.BLAIS,D.ASTRUC
Literature Reference Citation J.AM.CHEM.SOC.,125,2617(2003)
Literature Reference DOI 10.1021/ja021325d
Molecular Weight 1075.954 g/mol
Sample ID 40665
Solvent CDCl3