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(3R,4R)-4-(2,6-Dichlorophenyl)-3-hydroxy-5-nitropentan-2-one
SpectraBase Compound ID 16XLCv20JWQ
InChI InChI=1S/C11H11Cl2NO4/c1-6(15)11(16)7(5-14(17)18)10-8(12)3-2-4-9(10)13/h2-4,7,11,16H,5H2,1H3/t7-,11-/m0/s1
InChIKey JAFRTPOITXTVOO-CPCISQLKSA-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 40odF0UVoUq
Name (3R,4R)-4-(2,6-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)7(5-14(17)18)10-8(12)3-2-4-9(10)13/h2-4,7,11,16H,5H2,1H3/t7-,11-/m0/s1
InChIKey JAFRTPOITXTVOO-CPCISQLKSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 292.118 g/mol
SMILES O[C@]([C@@](C[N+](=O)[O-])(c1c(cccc1Cl)Cl)[H])(C(C)=O)[H]
SPLASH splash10-0uk9-1920000000-ca19363c78b979cdfdad
Source of Spectrum ASC-346-1163-anti_10f
Wiley ID 1767673