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BICQMPCBHLGDOD-MXFMKSRJSA-N

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BICQMPCBHLGDOD-MXFMKSRJSA-N
SpectraBase Compound ID 7pdM5CDBzVj
InChI InChI=1S/C24H29NO7.3CO.Fe/c1-4-31-22(28)24(23(29)32-5-2)17-25(15-18-11-7-6-8-12-18)16-19(24)20(26)13-9-10-14-21(27)30-3;3*1-2;/h6-14,19H,4-5,15-17H2,1-3H3;;;;/t19-;;;;/m1..../s1
InChIKey BICQMPCBHLGDOD-MXFMKSRJSA-N
Mol Weight 583.37 g/mol
Molecular Formula C27H29FeNO10
Exact Mass 583.114082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bMhSFJ90fy
Name BICQMPCBHLGDOD-MXFMKSRJSA-N
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29FeNO10
InChI InChI=1S/C24H29NO7.3CO.Fe/c1-4-31-22(28)24(23(29)32-5-2)17-25(15-18-11-7-6-8-12-18)16-19(24)20(26)13-9-10-14-21(27)30-3;3*1-2;/h6-14,19H,4-5,15-17H2,1-3H3;;;;/t19-;;;;/m1..../s1
InChIKey BICQMPCBHLGDOD-MXFMKSRJSA-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 583.375 g/mol
Solvent CDCl3
Source File Reference UWKP357