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(2S,3R,6R)-3-ethyl-1-(furan-2-ylmethyl)-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID aPbT9PFHWm
InChI InChI=1S/C24H23N3O6/c1-2-21-23(28)14-22(16-5-9-18(10-6-16)26(29)30)25(15-20-4-3-13-33-20)24(21)17-7-11-19(12-8-17)27(31)32/h3-13,21-22,24H,2,14-15H2,1H3/t21-,22+,24+/m0/s1
InChIKey QPHUDHXQDTZJNG-WMTXJRDZSA-N
Mol Weight 449.46 g/mol
Molecular Formula C24H23N3O6
Exact Mass 449.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYagTf8Mmv2
Name (2S,3R,6R)-3-ethyl-1-(furan-2-ylmethyl)-2,6-bis(4-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N3O6
InChI InChI=1S/C24H23N3O6/c1-2-21-23(28)14-22(16-5-9-18(10-6-16)26(29)30)25(15-20-4-3-13-33-20)24(21)17-7-11-19(12-8-17)27(31)32/h3-13,21-22,24H,2,14-15H2,1H3/t21-,22+,24+/m0/s1
InChIKey QPHUDHXQDTZJNG-WMTXJRDZSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 449.463 g/mol
SMILES c1(occc1)CN1[C@@]([C@](C(C[C@@]1(c1ccc([N+]([O-])=O)cc1)[H])=O)(CC)[H])(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH splash10-000t-7900000000-088e6a4ca19dc6678360
Source of Spectrum CJC-30-1509-4o
Wiley ID 1772747