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#1A;TRICARBONYL-[(1,2,3,4-ETA)-2-METHOXY-1-(METHOXYCARBONYLMETHYL)-5-ALPHA-(6-DIALLYLAMINOMETHYL-3,4-METHYLENEDIOXYPHENYL)-CYCLOHEXA-1,3-DIENE]-IRON(0)

View entire compound with spectra: 1 NMR

#1A;TRICARBONYL-[(1,2,3,4-ETA)-2-METHOXY-1-(METHOXYCARBONYLMETHYL)-5-ALPHA-(6-DIALLYLAMINOMETHYL-3,4-METHYLENEDIOXYPHENYL)-CYCLOHEXA-1,3-DIENE]-IRON(0)
SpectraBase Compound ID CKKBJ7vRX2Y
InChI InChI=1S/C24H27NO5.3CHO.Fe/c1-5-9-25(10-6-2)15-19-12-22-23(30-16-29-22)14-20(19)17-7-8-21(27-3)18(11-17)13-24(26)28-4;3*1-2;/h5-6,12,14,17H,1-2,9-11,13,15-16H2,3-4H3;3*1H;/t17-;;;;/m1..../s1
InChIKey KPTWHWOHMXWNTO-GIZSFIMASA-N
Mol Weight 552.38 g/mol
Molecular Formula C27H30FeNO8
Exact Mass 552.132078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4tgHJkJInm
Name #1A;TRICARBONYL-[(1,2,3,4-ETA)-2-METHOXY-1-(METHOXYCARBONYLMETHYL)-5-ALPHA-(6-DIALLYLAMINOMETHYL-3,4-METHYLENEDIOXYPHENYL)-CYCLOHEXA-1,3-DIENE]-IRON(0)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30FeNO8
InChI InChI=1S/C24H27NO5.3CHO.Fe/c1-5-9-25(10-6-2)15-19-12-22-23(30-16-29-22)14-20(19)17-7-8-21(27-3)18(11-17)13-24(26)28-4;3*1-2;/h5-6,12,14,17H,1-2,9-11,13,15-16H2,3-4H3;3*1H;/t17-;;;;/m1..../s1
InChIKey KPTWHWOHMXWNTO-GIZSFIMASA-N
Literature Reference Author G.R.STEPHENSON,I.M.PALOTAI,S.THOMAS,M.TINKL
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1895(2013)
Literature Reference DOI 10.1002/ejoc.201201056
Molecular Weight 552.384 g/mol
Solvent CDCl3
Source File Reference UWBT20595