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trans, cis-3-ethyl-1-(4-methoxyphenyl)-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID 9jvwSksHX4o
InChI InChI=1S/C26H25N3O6/c1-3-23-25(30)16-24(17-4-8-20(9-5-17)28(31)32)27(19-12-14-22(35-2)15-13-19)26(23)18-6-10-21(11-7-18)29(33)34/h4-15,23-24,26H,3,16H2,1-2H3/t23-,24+,26+/m0/s1
InChIKey ULPUKFIDYVSOBY-BFLUCZKCSA-N
Mol Weight 475.5 g/mol
Molecular Formula C26H25N3O6
Exact Mass 475.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mhN5w75KkX
Name trans, cis-3-ethyl-1-(4-methoxyphenyl)-2,6-bis(4-nitrophenyl)piperidin-4-one
Alternate Name(s) (2S,3R,6R)-3-ethyl-1-(4-methoxyphenyl)-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O6
InChI InChI=1S/C26H25N3O6/c1-3-23-25(30)16-24(17-4-8-20(9-5-17)28(31)32)27(19-12-14-22(35-2)15-13-19)26(23)18-6-10-21(11-7-18)29(33)34/h4-15,23-24,26H,3,16H2,1-2H3/t23-,24+,26+/m0/s1
InChIKey ULPUKFIDYVSOBY-BFLUCZKCSA-N
Literature Reference DOI 10.1002/adsc.201000760
Molecular Weight 475.501 g/mol
SMILES [C@@]1(N([C@@]([C@](C(C1)=O)(CC)[H])(c1ccc(cc1)[N+](=O)[O-])[H])c1ccc(cc1)OC)(c1ccc(cc1)[N+](=O)[O-])[H]
SPLASH splash10-0a4i-0290200000-12433053dcce39e5874e
Source of Spectrum ASC-353-315/SM6-3h
Wiley ID 1764715