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1-((4R,5R,6S)-1,2-dimethyl-5-nitro-6-phenyl-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-3-yl)ethanone
SpectraBase Compound ID 6eXlzf6MmHs
InChI InChI=1S/C19H20N2O3S/c1-12-16(13(2)22)17(15-10-7-11-25-15)19(21(23)24)18(20(12)3)14-8-5-4-6-9-14/h4-11,17-19H,1-3H3/t17-,18+,19-/m1/s1
InChIKey POWKCTPOLVNUTR-CEXWTWQISA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJfKVQszEvo
Name 1-((4R,5R,6S)-1,2-dimethyl-5-nitro-6-phenyl-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c1-12-16(13(2)22)17(15-10-7-11-25-15)19(21(23)24)18(20(12)3)14-8-5-4-6-9-14/h4-11,17-19H,1-3H3/t17-,18+,19-/m1/s1
InChIKey POWKCTPOLVNUTR-CEXWTWQISA-N
Literature Reference DOI 10.1021/ol503024d
Molecular Weight 356.440 g/mol
SMILES c1([C@]2([C@@]([N+](=O)[O-])([C@](c3ccccc3)(N(C)C(=C2C(=O)C)C)[H])[H])[H])cccs1
SPLASH splash10-03dj-4239000000-cbd7b8f21cbdc642920e
Source of Spectrum A1-16-6012/SMS10-4e
Wiley ID 1756195