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trans, cis-3-methyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
SpectraBase Compound ID 1tNrSpCAOnI
InChI InChI=1S/C24H21N3O5/c1-16-23(28)15-22(17-7-5-11-20(13-17)26(29)30)25(19-9-3-2-4-10-19)24(16)18-8-6-12-21(14-18)27(31)32/h2-14,16,22,24H,15H2,1H3/t16-,22+,24-/m0/s1
InChIKey KQMIJGJQIZARSJ-IGUJJWBZSA-N
Mol Weight 431.45 g/mol
Molecular Formula C24H21N3O5
Exact Mass 431.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Tcrk1Fc8tV
Name trans, cis-3-methyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
Alternate Name(s) (2S,3R,6R)-3-methyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3O5
InChI InChI=1S/C24H21N3O5/c1-16-23(28)15-22(17-7-5-11-20(13-17)26(29)30)25(19-9-3-2-4-10-19)24(16)18-8-6-12-21(14-18)27(31)32/h2-14,16,22,24H,15H2,1H3/t16-,22+,24-/m0/s1
InChIKey KQMIJGJQIZARSJ-IGUJJWBZSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 431.448 g/mol
SMILES C1[C@@](N([C@@]([C@](C1=O)(C)[H])(c1cc([N+](=O)[O-])ccc1)[H])c1ccccc1)(c1cc(ccc1)[N+](=O)[O-])[H]
SPLASH splash10-001i-9010000000-449c3606accee81ee207
Source of Spectrum CJC-30-1508-4h
Wiley ID 1772740