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trans, cis-1-(4-methoxyphenyl)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID LXAKawXFgC1
InChI InChI=1S/C25H23N3O6/c1-16-24(29)15-23(17-3-7-20(8-4-17)27(30)31)26(19-11-13-22(34-2)14-12-19)25(16)18-5-9-21(10-6-18)28(32)33/h3-14,16,23,25H,15H2,1-2H3/t16-,23+,25-/m0/s1
InChIKey ZURXKKASCHEJSC-VVHBXYOFSA-N
Mol Weight 461.47 g/mol
Molecular Formula C25H23N3O6
Exact Mass 461.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtKwyldhJqT
Name trans, cis-1-(4-methoxyphenyl)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O6
InChI InChI=1S/C25H23N3O6/c1-16-24(29)15-23(17-3-7-20(8-4-17)27(30)31)26(19-11-13-22(34-2)14-12-19)25(16)18-5-9-21(10-6-18)28(32)33/h3-14,16,23,25H,15H2,1-2H3/t16-,23+,25-/m0/s1
InChIKey ZURXKKASCHEJSC-VVHBXYOFSA-N
Literature Reference DOI 10.1002/adsc.201000760
Molecular Weight 461.474 g/mol
SMILES [C@@]1(N([C@@]([C@](C(C1)=O)(C)[H])(c1ccc(cc1)[N+](=O)[O-])[H])c1ccc(cc1)OC)(c1ccc(cc1)[N+](=O)[O-])[H]
SPLASH splash10-07r1-3986500000-230e1cb3c3a6a383bccb
Source of Spectrum ASC-353-315/SM6-3g
Synonyms (2S,3R,6R)-1-(4-methoxyphenyl)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Wiley ID 1764714