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(2S,3R,6R)-3-ethyl-1-(furan-2-ylmethyl)-2,6-bis(3-nitrophenyl)piperidin-4-one
SpectraBase Compound ID DyFPUBgmHiB
InChI InChI=1S/C24H23N3O6/c1-2-21-23(28)14-22(16-6-3-8-18(12-16)26(29)30)25(15-20-10-5-11-33-20)24(21)17-7-4-9-19(13-17)27(31)32/h3-13,21-22,24H,2,14-15H2,1H3/t21-,22+,24+/m0/s1
InChIKey MGHUQSKGXQDWLJ-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 79i2X05wapV
Name (2S,3R,6R)-3-ethyl-1-(furan-2-ylmethyl)-2,6-bis(3-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(16-6-3-8-18(12-16)26(29)30)25(15-20-10-5-11-33-20)24(21)17-7-4-9-19(13-17)27(31)32/h3-13,21-22,24H,2,14-15H2,1H3/t21-,22+,24+/m0/s1
InChIKey MGHUQSKGXQDWLJ-WMTXJRDZSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 449.463 g/mol
SMILES c1(CN2[C@@]([C@](C(C[C@@]2(c2cccc(c2)[N+]([O-])=O)[H])=O)(CC)[H])(c2cc(ccc2)[N+](=O)[O-])[H])occc1
SPLASH splash10-001i-9210100000-83083a8974e2d14c30cb
Source of Spectrum CJC-30-1509-4p
Wiley ID 1772748