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(2S,3R,6R)-1-butyl-2,6-bis(4-nitrophenyl)-3-propylpiperidin-4-one
SpectraBase Compound ID 8s3isckTD7T
InChI InChI=1S/C24H29N3O5/c1-3-5-15-25-22(17-7-11-19(12-8-17)26(29)30)16-23(28)21(6-4-2)24(25)18-9-13-20(14-10-18)27(31)32/h7-14,21-22,24H,3-6,15-16H2,1-2H3/t21-,22+,24+/m0/s1
InChIKey NISDEKOCUNYOBV-WMTXJRDZSA-N
Mol Weight 439.51 g/mol
Molecular Formula C24H29N3O5
Exact Mass 439.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FH4l1WXXGx2
Name (2S,3R,6R)-1-butyl-2,6-bis(4-nitrophenyl)-3-propylpiperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O5
InChI InChI=1S/C24H29N3O5/c1-3-5-15-25-22(17-7-11-19(12-8-17)26(29)30)16-23(28)21(6-4-2)24(25)18-9-13-20(14-10-18)27(31)32/h7-14,21-22,24H,3-6,15-16H2,1-2H3/t21-,22+,24+/m0/s1
InChIKey NISDEKOCUNYOBV-WMTXJRDZSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 439.512 g/mol
SMILES C1[C@@](N([C@](c2ccc([N+]([O-])=O)cc2)([C@](C1=O)(CCC)[H])[H])CCCC)(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH splash10-03dj-2916200000-3f7600267326895737b3
Source of Spectrum CJC-30-1509-4r
Wiley ID 1772750