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(2S,3R,6R)-1-benzyl-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID 2kpMkdHQtKw
InChI InChI=1S/C25H23N3O5/c1-17-24(29)15-23(19-7-11-21(12-8-19)27(30)31)26(16-18-5-3-2-4-6-18)25(17)20-9-13-22(14-10-20)28(32)33/h2-14,17,23,25H,15-16H2,1H3/t17-,23+,25-/m0/s1
InChIKey DAXCSLKUHIILMI-YRSQORNKSA-N
Mol Weight 445.48 g/mol
Molecular Formula C25H23N3O5
Exact Mass 445.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh7DciuSwLU
Name (2S,3R,6R)-1-benzyl-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O5
InChI InChI=1S/C25H23N3O5/c1-17-24(29)15-23(19-7-11-21(12-8-19)27(30)31)26(16-18-5-3-2-4-6-18)25(17)20-9-13-22(14-10-20)28(32)33/h2-14,17,23,25H,15-16H2,1H3/t17-,23+,25-/m0/s1
InChIKey DAXCSLKUHIILMI-YRSQORNKSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 445.475 g/mol
SMILES c1(ccccc1)CN1[C@@]([C@](C(C[C@@]1(c1ccc([N+]([O-])=O)cc1)[H])=O)(C)[H])(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH splash10-0006-9310000000-a9d042105a979439d8cd
Source of Spectrum CJC-30-1508-4i
Wiley ID 1772741