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(S)-2-[(S)-1-(2-Fluorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
SpectraBase Compound ID DaUNWHTVEyE
InChI InChI=1S/C14H15FN2O5/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 RMSHBYKPXVZQAQ-RISCZKNCSA-N
Mol Weight 310.28 g/mol
Molecular Formula C14H15FN2O5
Exact Mass 310.0965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xDgxWJWfu3
Name (S)-2-[(S)-1-(2-Fluorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
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Formula C14H15FN2O5
InChI InChI=1S/C14H15FN2O5/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 RMSHBYKPXVZQAQ-RISCZKNCSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 310.281 g/mol
SMILES c1ccc(c(c1)[C@]([C@]1(CCCCC1=O)[N+](=O)[O-])(C[N+](=O)[O-])[H])F
SPLASH splash10-0ab9-5900000000-ab9e4b04da6cc9b33e2c
Source of Spectrum A1-14-4518/SMS14-7a
Synonyms (S)-2-((S)-1-(2-fluorophenyl)-2-nitroethyl)-2-nitrocyclohexanone (2S)-2-[(1S)-1-(2-fluorophenyl)-2-nitroethyl]-2-nitro-1-cyclohexanone (2S)-2-[(1S)-1-(2-fluorophenyl)-2-nitroethyl]-2-nitrocyclohexan-1-one (2S)-2-[(1S)-1-(2-fluorophenyl)-2-nitro-ethyl]-2-nitro-cyclohexan-1-one
Wiley ID 1750581