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ANTI-2-CHLORO-1-(3,4-DIMETHOXYPHENYL)-1-[1-(3,4-DIMETHOXYPHENYL)-ALLYLOXY]-2-NITROPROPANE;MAJOR-DIASTEREOMER
SpectraBase Compound ID Iz1PqQMNygW
InChI InChI=1S/C22H26ClNO7/c1-7-16(14-8-10-17(27-3)19(12-14)29-5)31-21(22(2,23)24(25)26)15-9-11-18(28-4)20(13-15)30-6/h7-13,16,21H,1H2,2-6H3/t16-,21+,22?/m0/s1
InChIKey IIBLGPICWQZYEB-ROJLGYONSA-N
Mol Weight 451.9 g/mol
Molecular Formula C22H26ClNO7
Exact Mass 451.13978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MeLbSBWK7Q
Name ANTI-2-CHLORO-1-(3,4-DIMETHOXYPHENYL)-1-[1-(3,4-DIMETHOXYPHENYL)-ALLYLOXY]-2-NITROPROPANE;MAJOR-DIASTEREOMER
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26ClNO7
InChI InChI=1S/C22H26ClNO7/c1-7-16(14-8-10-17(27-3)19(12-14)29-5)31-21(22(2,23)24(25)26)15-9-11-18(28-4)20(13-15)30-6/h7-13,16,21H,1H2,2-6H3/t16-,21+,22?/m0/s1
InChIKey IIBLGPICWQZYEB-ROJLGYONSA-N
Literature Reference Author U.JAHN,D.RUDAKOV
Literature Reference Citation ORG.LETTERS,8,4481(2006)
Literature Reference DOI 10.1021/ol061666m
Molecular Weight 451.904 g/mol
Sample ID 61639
Solvent CDCl3