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(2S,3R,6R)-1-benzyl-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID 3tIhf4fWbM1
InChI InChI=1S/C26H25N3O5/c1-2-23-25(30)16-24(19-8-12-21(13-9-19)28(31)32)27(17-18-6-4-3-5-7-18)26(23)20-10-14-22(15-11-20)29(33)34/h3-15,23-24,26H,2,16-17H2,1H3/t23-,24+,26+/m0/s1
InChIKey MDLOHQITCSHYCG-BFLUCZKCSA-N
Mol Weight 459.5 g/mol
Molecular Formula C26H25N3O5
Exact Mass 459.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERUzO9TBcmQ
Name (2S,3R,6R)-1-benzyl-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O5
InChI InChI=1S/C26H25N3O5/c1-2-23-25(30)16-24(19-8-12-21(13-9-19)28(31)32)27(17-18-6-4-3-5-7-18)26(23)20-10-14-22(15-11-20)29(33)34/h3-15,23-24,26H,2,16-17H2,1H3/t23-,24+,26+/m0/s1
InChIKey MDLOHQITCSHYCG-BFLUCZKCSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 459.502 g/mol
SMILES c1(ccccc1)CN1[C@@]([C@](C(C[C@@]1(c1ccc([N+]([O-])=O)cc1)[H])=O)(CC)[H])(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH splash10-0006-9310100000-245d0c5ab94ca43ec0cc
Source of Spectrum CJC-30-1509-4q
Wiley ID 1772749