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XIMKHZRUFUNOLF-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

XIMKHZRUFUNOLF-UHFFFAOYSA-M
SpectraBase Compound ID HH83Ig0GewR
InChI InChI=1S/C36H30NP2.C6H16O3P.C6H6S.3CO.Fe/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-4-7-10(8-5-2)9-6-3;7-6-4-2-1-3-5-6;3*1-2;/h1-30H;10H,4-6H2,1-3H3;1-5,7H;;;;/q2*+1;;;;;-1/p-1
InChIKey XIMKHZRUFUNOLF-UHFFFAOYSA-M
Mol Weight 954.8 g/mol
Molecular Formula C51H51FeNO6P3S
Exact Mass 954.199932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqXDIUPg0xA
Name XIMKHZRUFUNOLF-UHFFFAOYSA-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H50FeNO6P3S
InChI InChI=1S/C36H30NP2.C6H16O3P.C6H6S.3CO.Fe/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-4-7-10(8-5-2)9-6-3;7-6-4-2-1-3-5-6;3*1-2;/h1-30H;10H,4-6H2,1-3H3;1-5,7H;;;;/q2*+1;;;;;-1/p-1
InChIKey XIMKHZRUFUNOLF-UHFFFAOYSA-M
Literature Reference Author W.F.LIAW,C.KIM,M.Y.DARENSBOURG,A.L.RHEINGOLD
Literature Reference Citation J.AM.CHEM.SOC.,111,3591(1989)
Literature Reference DOI 10.1021/ja00192a016
Molecular Weight 953.789 g/mol
Solvent ACETONE-D6
Source File Reference UWCS12619