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PXNOUBGCKBGIFU-HHVPYRKWSA-N

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PXNOUBGCKBGIFU-HHVPYRKWSA-N
SpectraBase Compound ID 6ee2kPwhoq0
InChI InChI=1S/C21H24O4.3CO.Fe/c1-25-21(24)14-8-7-13-19(22)18(16-9-5-6-10-16)15-20(23)17-11-3-2-4-12-17;3*1-2;/h2-4,7-8,11-14,16,18H,5-6,9-10,15H2,1H3;;;;/t18-;;;;/m1..../s1
InChIKey PXNOUBGCKBGIFU-HHVPYRKWSA-N
Mol Weight 480.29 g/mol
Molecular Formula C24H24FeO7
Exact Mass 480.087139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZ7Ar1rSExP
Name PXNOUBGCKBGIFU-HHVPYRKWSA-N
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24FeO7
InChI InChI=1S/C21H24O4.3CO.Fe/c1-25-21(24)14-8-7-13-19(22)18(16-9-5-6-10-16)15-20(23)17-11-3-2-4-12-17;3*1-2;/h2-4,7-8,11-14,16,18H,5-6,9-10,15H2,1H3;;;;/t18-;;;;/m1..../s1
InChIKey PXNOUBGCKBGIFU-HHVPYRKWSA-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 480.297 g/mol
Solvent CDCl3
Source File Reference UWKP369