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(2-BENZYL-4,4-DIMETHYL-2-AZATRICYCLO-[5.2.2.0]-UNDECAN-5,8,10-TRIEN-3-ONE)-TRICARBONYLIRON
SpectraBase Compound ID HqCox1rsGFB
InChI InChI=1S/C37H29NO2.3CO.Fe/c1-26-33-36(38(34(26)39)35(40)32(27-14-6-2-7-15-27)28-16-8-3-9-17-28)24-22-31(23-25-36)37(33,29-18-10-4-11-19-29)30-20-12-5-13-21-30;3*1-2;/h2-25,31-32H,1H3;;;;
InChIKey ASJAYXRJGQUIML-UHFFFAOYSA-N
Mol Weight 659.5 g/mol
Molecular Formula C40H29FeNO5
Exact Mass 659.139509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARCVfK38EvN
Name (2-BENZYL-4,4-DIMETHYL-2-AZATRICYCLO-[5.2.2.0]-UNDECAN-5,8,10-TRIEN-3-ONE)-TRICARBONYLIRON
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H29FeNO5
InChI InChI=1S/C37H29NO2.3CO.Fe/c1-26-33-36(38(34(26)39)35(40)32(27-14-6-2-7-15-27)28-16-8-3-9-17-28)24-22-31(23-25-36)37(33,29-18-10-4-11-19-29)30-20-12-5-13-21-30;3*1-2;/h2-25,31-32H,1H3;;;;
InChIKey ASJAYXRJGQUIML-UHFFFAOYSA-N
Literature Reference Author L.S.TRIFONOV,A.S.ORAHOVATS
Literature Reference Citation HELV.CHIM.ACTA,72,648(1989)
Literature Reference DOI 10.1002/hlca.19890720404
Molecular Weight 659.521 g/mol
Solvent CDCl3
Source File Reference UWED311665