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(2S,3R,6R)-1-(furan-2-ylmethyl)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
SpectraBase Compound ID 9waQnp8U7Z0
InChI InChI=1S/C23H21N3O6/c1-15-22(27)13-21(16-4-8-18(9-5-16)25(28)29)24(14-20-3-2-12-32-20)23(15)17-6-10-19(11-7-17)26(30)31/h2-12,15,21,23H,13-14H2,1H3/t15-,21+,23-/m0/s1
InChIKey HGXCFXBLBKOTSF-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 Ab1LCwe6QNG
Name (2S,3R,6R)-1-(furan-2-ylmethyl)-3-methyl-2,6-bis(4-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(16-4-8-18(9-5-16)25(28)29)24(14-20-3-2-12-32-20)23(15)17-6-10-19(11-7-17)26(30)31/h2-12,15,21,23H,13-14H2,1H3/t15-,21+,23-/m0/s1
InChIKey HGXCFXBLBKOTSF-XFEAKLGESA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 435.436 g/mol
SMILES c1(occc1)CN1[C@@]([C@](C(C[C@@]1(c1ccc([N+]([O-])=O)cc1)[H])=O)(C)[H])(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH splash10-001i-9600000000-d501b44c3f15aa4bd4ff
Source of Spectrum CJC-30-1507-4e
Wiley ID 1772737