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(2S,3R,6R)-1-(furan-2-ylmethyl)-3-methyl-2,6-bis(3-nitrophenyl)piperidin-4-one
SpectraBase Compound ID KHUNwAxIiq4
InChI InChI=1S/C23H21N3O6/c1-15-22(27)13-21(16-5-2-7-18(11-16)25(28)29)24(14-20-9-4-10-32-20)23(15)17-6-3-8-19(12-17)26(30)31/h2-12,15,21,23H,13-14H2,1H3/t15-,21+,23-/m0/s1
InChIKey FXOQWASLHPKWAD-XFEAKLGESA-N
Mol Weight 435.44 g/mol
Molecular Formula C23H21N3O6
Exact Mass 435.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHiL4Thrwig
Name (2S,3R,6R)-1-(furan-2-ylmethyl)-3-methyl-2,6-bis(3-nitrophenyl)piperidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O6
InChI InChI=1S/C23H21N3O6/c1-15-22(27)13-21(16-5-2-7-18(11-16)25(28)29)24(14-20-9-4-10-32-20)23(15)17-6-3-8-19(12-17)26(30)31/h2-12,15,21,23H,13-14H2,1H3/t15-,21+,23-/m0/s1
InChIKey FXOQWASLHPKWAD-XFEAKLGESA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 435.436 g/mol
SMILES c1(CN2[C@@]([C@](C(=O)C[C@@]2(c2cccc(c2)[N+]([O-])=O)[H])(C)[H])(c2cc(ccc2)[N+](=O)[O-])[H])occc1
SPLASH splash10-001i-9000000000-4aa9985f2dd43c12f08e
Source of Spectrum CJC-30-1507-4f
Wiley ID 1772738