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(3R,4R)-4-(2,4-Dichlorophenyl)-3-hydroxy-5-nitropentan-2-one
SpectraBase Compound ID IF8BgsjWEpU
InChI InChI=1S/C11H11Cl2NO4/c1-6(15)11(16)9(5-14(17)18)8-3-2-7(12)4-10(8)13/h2-4,9,11,16H,5H2,1H3/t9-,11-/m0/s1
InChIKey QHNBSUOTSLVGAR-ONGXEEELSA-N
Mol Weight 292.12 g/mol
Molecular Formula C11H11Cl2NO4
Exact Mass 291.006513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LW7G5WherK5
Name (3R,4R)-4-(2,4-Dichlorophenyl)-3-hydroxy-5-nitropentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11Cl2NO4
InChI InChI=1S/C11H11Cl2NO4/c1-6(15)11(16)9(5-14(17)18)8-3-2-7(12)4-10(8)13/h2-4,9,11,16H,5H2,1H3/t9-,11-/m0/s1
InChIKey QHNBSUOTSLVGAR-ONGXEEELSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 292.118 g/mol
SMILES O[C@]([C@@](C[N+](=O)[O-])(c1c(cc(cc1)Cl)Cl)[H])(C(C)=O)[H]
SPLASH splash10-0fk9-1920000000-3c65976f73c5d595a5cf
Source of Spectrum ASC-346-1163-anti_10h
Synonyms (3R,4R)-4-(2,4-dichlorophenyl)-3-hydroxy-5-nitro-2-pentanone (3R,4R)-4-(2,4-dichlorophenyl)-5-nitro-3-oxidanyl-pentan-2-one
Wiley ID 1767675