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(S)-2-[(S)-1-(4-Fluorophenyl)-2-nitroethyl]-2-nitrocyclohexanone

View entire compound with spectra: 1 MS (GC)

(S)-2-[(S)-1-(4-Fluorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
SpectraBase Compound ID 8mI5WZbOM6K
InChI InChI=1S/C14H15FN2O5/c15-11-6-4-10(5-7-11)12(9-16(19)20)14(17(21)22)8-2-1-3-13(14)18/h4-7,12H,1-3,8-9H2/t12-,14+/m1/s1
InChIKey PXOGESZOTMMFNJ-OCCSQVGLSA-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 90mEmpkRtiu
Name (S)-2-[(S)-1-(4-Fluorophenyl)-2-nitroethyl]-2-nitrocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15FN2O5
InChI InChI=1S/C14H15FN2O5/c15-11-6-4-10(5-7-11)12(9-16(19)20)14(17(21)22)8-2-1-3-13(14)18/h4-7,12H,1-3,8-9H2/t12-,14+/m1/s1
InChIKey PXOGESZOTMMFNJ-OCCSQVGLSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 310.281 g/mol
SMILES c1c(ccc(c1)[C@]([C@]1(CCCCC1=O)[N+](=O)[O-])(C[N+](=O)[O-])[H])F
SPLASH splash10-0avi-3920000000-bb14a3ed040d9944d32d
Source of Spectrum A1-14-4518/SMS15-7d
Synonyms (S)-2-((S)-1-(4-fluorophenyl)-2-nitroethyl)-2-nitrocyclohexanone
Wiley ID 1750584