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(S)-2-[(S)-1-(2-Chlorophenyl)-2-nitroethyl]-2-nitrocyclohexanone

View entire compound with spectra: 1 MS (GC)

(S)-2-[(S)-1-(2-Chlorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
SpectraBase Compound ID 8axvO9i11G5
InChI InChI=1S/C14H15ClN2O5/c15-12-6-2-1-5-10(12)11(9-16(19)20)14(17(21)22)8-4-3-7-13(14)18/h1-2,5-6,11H,3-4,7-9H2/t11-,14+/m1/s1
InChIKey NHBZTADMCCJBIS-RISCZKNCSA-N
Mol Weight 326.74 g/mol
Molecular Formula C14H15ClN2O5
Exact Mass 326.066949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uyZ6OKQwiD
Name (S)-2-[(S)-1-(2-Chlorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClN2O5
InChI InChI=1S/C14H15ClN2O5/c15-12-6-2-1-5-10(12)11(9-16(19)20)14(17(21)22)8-4-3-7-13(14)18/h1-2,5-6,11H,3-4,7-9H2/t11-,14+/m1/s1
InChIKey NHBZTADMCCJBIS-RISCZKNCSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 326.736 g/mol
SMILES c1ccc(c(c1)[C@]([C@]1(CCCCC1=O)[N+](=O)[O-])(C[N+](=O)[O-])[H])Cl
SPLASH splash10-0a7r-7920000000-bd011327086b63729918
Source of Spectrum A1-14-4518/SMS15-7c
Synonyms (S)-2-((S)-1-(2-chlorophenyl)-2-nitroethyl)-2-nitrocyclohexanone
Wiley ID 1750583