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((4R,5R,6S)-1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridin-3-yl)(phenyl)methanone
SpectraBase Compound ID Bfl320ezQHI
InChI InChI=1S/C26H24N2O3/c1-18-22(26(29)21-16-10-5-11-17-21)23(19-12-6-3-7-13-19)25(28(30)31)24(27(18)2)20-14-8-4-9-15-20/h3-17,23-25H,1-2H3/t23-,24+,25-/m1/s1
InChIKey IFGQMPVHSKKRHS-DSNGMDLFSA-N
Mol Weight 412.49 g/mol
Molecular Formula C26H24N2O3
Exact Mass 412.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7M4ryAdoWJ
Name ((4R,5R,6S)-1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridin-3-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O3
InChI InChI=1S/C26H24N2O3/c1-18-22(26(29)21-16-10-5-11-17-21)23(19-12-6-3-7-13-19)25(28(30)31)24(27(18)2)20-14-8-4-9-15-20/h3-17,23-25H,1-2H3/t23-,24+,25-/m1/s1
InChIKey IFGQMPVHSKKRHS-DSNGMDLFSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 412.489 g/mol
SMILES c1(ccccc1)[C@]1([C@@]([N+](=O)[O-])([C@@](N(C(C)=C1C(c1ccccc1)=O)C)(c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-9810000000-4618a2eaa64131bad6bc
Source of Spectrum A1-16-6012/SMS15-4ib
Wiley ID 1756199