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(1S,2S,3R,6R,7aS)-3-Acetyl-6-hydroxy-3-methyl-1-nitro-2-phenylazabicyclo[3.3.0]octane
SpectraBase Compound ID 3ovnGExuDoW
InChI InChI=1S/C16H20N2O4/c1-10(19)16(2)14(11-6-4-3-5-7-11)15(18(21)22)13-8-12(20)9-17(13)16/h3-7,12-15,20H,8-9H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
InChIKey AOJYOJLDAFLMGS-CWVYHPPDSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTaPcgoCPke
Name (1S,2S,3R,6R,7aS)-3-Acetyl-6-hydroxy-3-methyl-1-nitro-2-phenylazabicyclo[3.3.0]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-10(19)16(2)14(11-6-4-3-5-7-11)15(18(21)22)13-8-12(20)9-17(13)16/h3-7,12-15,20H,8-9H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
InChIKey AOJYOJLDAFLMGS-CWVYHPPDSA-N
Molecular Weight 304.346 g/mol
SMILES O[C@]1(CN2[C@]([C@@](c3ccccc3)([C@@]([C@@]2(C1)[H])(N(=O)=O)[H])[H])(C(=O)C)C)[H]
SPLASH splash10-03di-0190000000-0190ef9331228ae88e45
Source of Spectrum Y-47-669-6a
Synonyms 1-((1S,2S,3R,6R,7aS)-6-Hydroxy-3-methyl-1-nitro-2-phenyl-hexahydro-pyrrolizin-3-yl)-ethanone 1-[(1S,2S,3R,6R,8S)-6-hydroxy-3-methyl-1-nitro-2-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-yl]ethanone 1-[(1S,2S,3R,6R,8S)-3-methyl-1-nitro-6-oxidanyl-2-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-yl]ethanone
Wiley ID 1711139