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(2S,4R,5S)-2-ethoxy-4-nitro-5-phenyl-1-cyclohexanone

View entire compound with spectra: 1 MS (GC)

(2S,4R,5S)-2-ethoxy-4-nitro-5-phenyl-1-cyclohexanone
SpectraBase Compound ID 2N0MkUtW6ti
InChI InChI=1S/C14H17NO4/c1-2-19-14-9-12(15(17)18)11(8-13(14)16)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3/t11-,12+,14-/m0/s1
InChIKey NUNKFCXRHJMYAA-SCRDCRAPSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IVa9iaipjM
Name (2S,4R,5S)-2-ethoxy-4-nitro-5-phenyl-1-cyclohexanone
Alternate Name(s) (2S,4R,5S)-2-ethoxy-4-nitro-5-phenyl-cyclohexan-1-one (2S,4R,5S)-2-ethoxy-4-nitro-5-phenyl-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-2-19-14-9-12(15(17)18)11(8-13(14)16)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3/t11-,12+,14-/m0/s1
InChIKey NUNKFCXRHJMYAA-SCRDCRAPSA-N
Molecular Weight 263.293 g/mol
SMILES [C@@]1(N(=O)=O)([C@@](CC([C@](C1)(OCC)[H])=O)(c1ccccc1)[H])[H]
SPLASH splash10-0fxx-2900000000-5b0458550c084122ec6e
Source of Spectrum KC-0-228-30
Wiley ID 787092