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1-((4R,5R,6S)-4-cyclohexyl-1,2-dimethyl-5-nitro-6-phenyl-1,4,5,6-tetrahydropyridin-3-yl)ethanone
SpectraBase Compound ID 3coO2EQD1fV
InChI InChI=1S/C21H28N2O3/c1-14-18(15(2)24)19(16-10-6-4-7-11-16)21(23(25)26)20(22(14)3)17-12-8-5-9-13-17/h5,8-9,12-13,16,19-21H,4,6-7,10-11H2,1-3H3/t19-,20+,21-/m1/s1
InChIKey RDJFBPLPRTYSJI-QHAWAJNXSA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iIFKQZkPVi
Name 1-((4R,5R,6S)-4-cyclohexyl-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 C21H28N2O3
InChI InChI=1S/C21H28N2O3/c1-14-18(15(2)24)19(16-10-6-4-7-11-16)21(23(25)26)20(22(14)3)17-12-8-5-9-13-17/h5,8-9,12-13,16,19-21H,4,6-7,10-11H2,1-3H3/t19-,20+,21-/m1/s1
InChIKey RDJFBPLPRTYSJI-QHAWAJNXSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 356.466 g/mol
SMILES C1([C@]2([C@@]([N+](=O)[O-])([C@](c3ccccc3)(N(C)C(=C2C(=O)C)C)[H])[H])[H])CCCCC1
SPLASH splash10-0h00-0695000000-979f4323ffbb355ddc34
Source of Spectrum A1-16-6012/SMS11-4f
Wiley ID 1756196