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trans, cis-3-ethyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
SpectraBase Compound ID 206zcWVSVpR
InChI InChI=1S/C25H23N3O5/c1-2-22-24(29)16-23(17-8-6-12-20(14-17)27(30)31)26(19-10-4-3-5-11-19)25(22)18-9-7-13-21(15-18)28(32)33/h3-15,22-23,25H,2,16H2,1H3/t22-,23+,25+/m0/s1
InChIKey QARVBIZINVJLTG-JBRSBNLGSA-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 J1OPxqUje3h
Name trans, cis-3-ethyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
Alternate Name(s) (2S,3R,6R)-3-ethyl-2,6-bis(3-nitrophenyl)-1-phenylpiperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O5
InChI InChI=1S/C25H23N3O5/c1-2-22-24(29)16-23(17-8-6-12-20(14-17)27(30)31)26(19-10-4-3-5-11-19)25(22)18-9-7-13-21(15-18)28(32)33/h3-15,22-23,25H,2,16H2,1H3/t22-,23+,25+/m0/s1
InChIKey QARVBIZINVJLTG-JBRSBNLGSA-N
Literature Reference DOI 10.1002/adsc.201000760
Molecular Weight 445.475 g/mol
SMILES c1(N2[C@](c3cccc(c3)[N+](=O)[O-])([C@@](CC)(C(=O)C[C@@]2(c2cc(ccc2)[N+](=O)[O-])[H])[H])[H])ccccc1
SPLASH splash10-0043-9120000000-1585e1c8471e43852d38
Source of Spectrum ASC-353-315/SM7-3j
Wiley ID 1764717