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ASIJFQGCASYGHK-YSJNIUOTSA-N

View entire compound with spectra: 1 NMR

ASIJFQGCASYGHK-YSJNIUOTSA-N
SpectraBase Compound ID C5XPgCEJ9Pd
InChI InChI=1S/C23H22O4S.3CO.Fe/c1-17-12-14-19(15-13-17)28-22(16-21(25)18-8-4-3-5-9-18)20(24)10-6-7-11-23(26)27-2;3*1-2;/h3-15,22H,16H2,1-2H3;;;;/t22-;;;;/m0..../s1
InChIKey ASIJFQGCASYGHK-YSJNIUOTSA-N
Mol Weight 534.36 g/mol
Molecular Formula C26H22FeO7S
Exact Mass 534.04356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ICbX3dP5mh
Name ASIJFQGCASYGHK-YSJNIUOTSA-N
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22FeO7S
InChI InChI=1S/C23H22O4S.3CO.Fe/c1-17-12-14-19(15-13-17)28-22(16-21(25)18-8-4-3-5-9-18)20(24)10-6-7-11-23(26)27-2;3*1-2;/h3-15,22H,16H2,1-2H3;;;;/t22-;;;;/m0..../s1
InChIKey ASIJFQGCASYGHK-YSJNIUOTSA-N
Literature Reference Author N.J.MARCHAND,D.M.GREE,J.T.MARTELLI,R.L.GREE,L.J.TOUPET
Literature Reference Citation J.ORG.CHEM.,61,5063(1996)
Literature Reference DOI 10.1021/jo9603643
Molecular Weight 534.363 g/mol
Solvent CDCl3
Source File Reference UWKP363