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(2S,3R,6R)-1-butyl-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID CxTU8WrnWC7
InChI InChI=1S/C22H25N3O5/c1-3-4-13-23-20(16-5-9-18(10-6-16)24(27)28)14-21(26)15(2)22(23)17-7-11-19(12-8-17)25(29)30/h5-12,15,20,22H,3-4,13-14H2,1-2H3/t15-,20+,22-/m0/s1
InChIKey YLMLVCKSPDIUKT-GNSUPJDDSA-N
Mol Weight 411.46 g/mol
Molecular Formula C22H25N3O5
Exact Mass 411.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AC6gq6mpASe
Name (2S,3R,6R)-1-butyl-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O5
InChI InChI=1S/C22H25N3O5/c1-3-4-13-23-20(16-5-9-18(10-6-16)24(27)28)14-21(26)15(2)22(23)17-7-11-19(12-8-17)25(29)30/h5-12,15,20,22H,3-4,13-14H2,1-2H3/t15-,20+,22-/m0/s1
InChIKey YLMLVCKSPDIUKT-GNSUPJDDSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 411.458 g/mol
SMILES C1C(=O)[C@](C)([C@@](c2ccc([N+]([O-])=O)cc2)(N(CCCC)[C@]1(c1ccc([N+]([O-])=O)cc1)[H])[H])[H]
SPLASH splash10-0aba-9711000000-dbed4dd6f473c84b0319
Source of Spectrum CJC-30-1507-4a
Wiley ID 1772735