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1-((4R,5R,6S)-1,2-dimethyl-5-nitro-4-phenyl-6-(phenylethynyl)-1,4,5,6-tetrahydropyridin-3-yl)ethanone
SpectraBase Compound ID 559UYAs0wFP
InChI InChI=1S/C23H22N2O3/c1-16-21(17(2)26)22(19-12-8-5-9-13-19)23(25(27)28)20(24(16)3)15-14-18-10-6-4-7-11-18/h4-13,20,22-23H,1-3H3/t20-,22+,23-/m0/s1
InChIKey DUVGXRLKXLAIRR-WWNPGLIZSA-N
Mol Weight 374.44 g/mol
Molecular Formula C23H22N2O3
Exact Mass 374.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81UirU0r5qp
Name 1-((4R,5R,6S)-1,2-dimethyl-5-nitro-4-phenyl-6-(phenylethynyl)-1,4,5,6-tetrahydropyridin-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O3
InChI InChI=1S/C23H22N2O3/c1-16-21(17(2)26)22(19-12-8-5-9-13-19)23(25(27)28)20(24(16)3)15-14-18-10-6-4-7-11-18/h4-13,20,22-23H,1-3H3/t20-,22+,23-/m0/s1
InChIKey DUVGXRLKXLAIRR-WWNPGLIZSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 374.440 g/mol
SMILES c1([C@]2([C@@]([N+](=O)[O-])([C@](C#Cc3ccccc3)(N(C)C(C)=C2C(=O)C)[H])[H])[H])ccccc1
SPLASH splash10-0a4l-2930000000-96c94c02482426d573e4
Source of Spectrum A1-16-6012/SMS21-4n
Wiley ID 1756203