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(4R,5R,6S)-methyl 1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID 1DnJO4MRBbh
InChI InChI=1S/C21H22N2O4/c1-14-17(21(24)27-3)18(15-10-6-4-7-11-15)20(23(25)26)19(22(14)2)16-12-8-5-9-13-16/h4-13,18-20H,1-3H3/t18-,19+,20-/m1/s1
InChIKey DNMGADYBVJSQHW-HSALFYBXSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZFvInZ9pA
Name (4R,5R,6S)-methyl 1,2-dimethyl-5-nitro-4,6-diphenyl-1,4,5,6-tetrahydropyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-14-17(21(24)27-3)18(15-10-6-4-7-11-15)20(23(25)26)19(22(14)2)16-12-8-5-9-13-16/h4-13,18-20H,1-3H3/t18-,19+,20-/m1/s1
InChIKey DNMGADYBVJSQHW-HSALFYBXSA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 366.417 g/mol
SMILES c1([C@]2([C@@]([N+](=O)[O-])([C@](c3ccccc3)(N(C)C(=C2C(=O)OC)C)[H])[H])[H])ccccc1
SPLASH splash10-006x-2279000000-77f9c30dd56d22b2989b
Source of Spectrum A1-16-6012/SMS12-4g
Wiley ID 1756197