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1-((4R,5R,6S)-4-(4-fluorophenyl)-1,2-dimethyl-5-nitro-6-phenyl-1,4,5,6-tetrahydropyridin-3-yl)ethanone
SpectraBase Compound ID BGkoL8WmRGQ
InChI InChI=1S/C21H21FN2O3/c1-13-18(14(2)25)19(15-9-11-17(22)12-10-15)21(24(26)27)20(23(13)3)16-7-5-4-6-8-16/h4-12,19-21H,1-3H3/t19-,20+,21-/m1/s1
InChIKey ZIMIUANOUGVFQT-QHAWAJNXSA-N
Mol Weight 368.41 g/mol
Molecular Formula C21H21FN2O3
Exact Mass 368.153621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J48y5gSVnch
Name 1-((4R,5R,6S)-4-(4-fluorophenyl)-1,2-dimethyl-5-nitro-6-phenyl-1,4,5,6-tetrahydropyridin-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21FN2O3
InChI InChI=1S/C21H21FN2O3/c1-13-18(14(2)25)19(15-9-11-17(22)12-10-15)21(24(26)27)20(23(13)3)16-7-5-4-6-8-16/h4-12,19-21H,1-3H3/t19-,20+,21-/m1/s1
InChIKey ZIMIUANOUGVFQT-QHAWAJNXSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 368.408 g/mol
SMILES c1c(ccc(c1)[C@]1([C@]([C@](c2ccccc2)(N(C)C(C)=C1C(=O)C)[H])([N+](=O)[O-])[H])[H])F
SPLASH splash10-05is-1897000000-ab2d70f3b4142d721276
Source of Spectrum A1-16-6012/SMS8-4c
Wiley ID 1756193