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(1S,2S,3R,4S)-2,4-Dinitro-3-phenylcyclohexan-1-ol
SpectraBase Compound ID 1G4fQIeuD14
InChI InChI=1S/C12H14N2O5/c15-10-7-6-9(13(16)17)11(12(10)14(18)19)8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKey DFTGMGYSFLLYRK-NNYUYHANSA-N
Mol Weight 266.25 g/mol
Molecular Formula C12H14N2O5
Exact Mass 266.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24UF5hgG12
Name (1S,2S,3R,4S)-2,4-Dinitro-3-phenylcyclohexan-1-ol
Alternate Name(s) (1S,2S,3R,4S)-2,4-dinitro-3-phenylcyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O5
InChI InChI=1S/C12H14N2O5/c15-10-7-6-9(13(16)17)11(12(10)14(18)19)8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKey DFTGMGYSFLLYRK-NNYUYHANSA-N
Literature Reference DOI 10.1002/adsc.201300039
Molecular Weight 266.253 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](CC1)([N+](=O)[O-])[H])(c1ccccc1)[H])([N+](=O)[O-])[H])[H]
SPLASH splash10-05vo-2900000000-c02136590f411d5cdea4
Source of Spectrum ASC-355-1133-1_epi_8
Wiley ID 1762011