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1-((4R,5R,6S)-1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridin-3-yl)ethanone
SpectraBase Compound ID 8Xr6WtvPeUk
InChI InChI=1S/C21H22N2O3/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/h4-13,19-21H,1-3H3/t19-,20+,21-/m1/s1
InChIKey GDTAYNYKYASRKX-QHAWAJNXSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOahpXJnwSb
Name 1-((4R,5R,6S)-1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridin-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/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/h4-13,19-21H,1-3H3/t19-,20+,21-/m1/s1
InChIKey GDTAYNYKYASRKX-QHAWAJNXSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 350.418 g/mol
SMILES c1cc(ccc1)[C@]1([C@]([C@](c2ccccc2)(N(C)C(C)=C1C(=O)C)[H])([N+](=O)[O-])[H])[H]
SPLASH splash10-116u-8966000000-4569a12185e2c7ae76b3
Source of Spectrum A1-16-6012/SMS5-4aa
Wiley ID 1756189