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(2S)-2-[(1S)-1-(2-furanyl)-2-nitroethyl]-1-cyclohexanone
SpectraBase Compound ID CRndPV8IoBd
InChI InChI=1S/C12H15NO4/c14-11-5-2-1-4-9(11)10(8-13(15)16)12-6-3-7-17-12/h3,6-7,9-10H,1-2,4-5,8H2/t9-,10+/m0/s1
InChIKey MUQGKFUMFIJQGK-VHSXEESVSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q4Z1HZVrM
Name (2S)-2-[(1S)-1-(2-furanyl)-2-nitroethyl]-1-cyclohexanone
Alternate Name(s) (2S)-2-[(1S)-1-(2-furyl)-2-nitro-ethyl]cyclohexanone (2S)-2-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]cyclohexan-1-one
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Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c14-11-5-2-1-4-9(11)10(8-13(15)16)12-6-3-7-17-12/h3,6-7,9-10H,1-2,4-5,8H2/t9-,10+/m0/s1
InChIKey MUQGKFUMFIJQGK-VHSXEESVSA-N
Molecular Weight 237.255 g/mol
SMILES C(N(=O)=O)[C@@](c1occc1)([C@]1(C(=O)CCCC1)[H])[H]
SPLASH splash10-01ox-1900000000-e6b874a9b52564fa2a60
Source of Spectrum H-82-1838-1
Wiley ID 815687