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(+-)-1-.alpha.-Nitro-2.beta.-[3-(6-Chloropyridyl)]cyclohexane-4-one
SpectraBase Compound ID Bm4hyECfZsw
InChI InChI=1S/C11H11ClN2O3/c12-11-4-1-7(6-13-11)9-5-8(15)2-3-10(9)14(16)17/h1,4,6,9-10H,2-3,5H2/t9-,10+/m1/s1
InChIKey ZZOLJSKXGIMSRP-ZJUUUORDSA-N
Mol Weight 254.67 g/mol
Molecular Formula C11H11ClN2O3
Exact Mass 254.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpIPq0rxAgE
Name (+-)-1-.alpha.-Nitro-2.beta.-[3-(6-Chloropyridyl)]cyclohexane-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClN2O3
InChI InChI=1S/C11H11ClN2O3/c12-11-4-1-7(6-13-11)9-5-8(15)2-3-10(9)14(16)17/h1,4,6,9-10H,2-3,5H2/t9-,10+/m1/s1
InChIKey ZZOLJSKXGIMSRP-ZJUUUORDSA-N
Molecular Weight 254.673 g/mol
SMILES [C@]1(N(=O)=O)([C@@](c2cnc(cc2)Cl)(CC(CC1)=O)[H])[H]
SPLASH splash10-014i-6900000000-ef21ec11b9850cca3e49
Source of Spectrum F-52-11058-5
Synonyms (3R,4S)-3-(6-chloro-3-pyridinyl)-4-nitrocyclohexanone (3R,4S)-3-(6-chloro-3-pyridinyl)-4-nitro-1-cyclohexanone (3R,4S)-3-(6-chloropyridin-3-yl)-4-nitrocyclohexan-1-one (3R,4S)-3-(6-chloranylpyridin-3-yl)-4-nitro-cyclohexan-1-one
Wiley ID 798277