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(Z)-methyl 3-[(2S*,3S*)-2,3-dihydro-1-methyl-2-(4-nitrophenyl)-6-oxo-4-phenylpyrid-3-yl]propenoate
SpectraBase Compound ID BDrzkLufHGy
InChI InChI=1S/C27H22N2O5/c1-34-26(31)17-16-23-24(19-8-4-2-5-9-19)18-25(30)28(21-10-6-3-7-11-21)27(23)20-12-14-22(15-13-20)29(32)33/h2-18,23,27H,1H3/b17-16-/t23-,27+/m0/s1
InChIKey LHZRNLNJZYFSMR-YNJGQOKISA-N
Mol Weight 454.48 g/mol
Molecular Formula C27H22N2O5
Exact Mass 454.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cfh7SvJgm
Name (Z)-methyl 3-[(2S*,3S*)-2,3-dihydro-1-methyl-2-(4-nitrophenyl)-6-oxo-4-phenylpyrid-3-yl]propenoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O5
InChI InChI=1S/C27H22N2O5/c1-34-26(31)17-16-23-24(19-8-4-2-5-9-19)18-25(30)28(21-10-6-3-7-11-21)27(23)20-12-14-22(15-13-20)29(32)33/h2-18,23,27H,1H3/b17-16-/t23-,27+/m0/s1
InChIKey LHZRNLNJZYFSMR-YNJGQOKISA-N
Literature Reference DOI 10.1021/ol202046y
Molecular Weight 454.482 g/mol
SMILES c1(ccc([N+](=O)[O-])cc1)[C@]1(N(C(=O)C=C([C@@]1(\C=C/C(OC)=O)[H])c1ccccc1)c1ccccc1)[H]
SPLASH splash10-056u-8590200000-3877b4df4715d3957eb2
Source of Spectrum A1-13-5172/SMS11-7c
Synonyms (Z)-methyl 3-((2S,3S)-2-(4-nitrophenyl)-6-oxo-1,4-diphenyl-1,2,3,6-tetrahydropyridin-3-yl)acrylate
Wiley ID 1753771