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(2S)-2-[(1R)-2-nitro-1-phenyl-ethyl]cyclohexan-1-one
SpectraBase Compound ID 8jqotfV9CfC
InChI InChI=1S/C14H17NO3/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey STOOUUNOLPMRGC-STQMWFEESA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Kha1EKIoE9
Name (2S)-2-[(1R)-2-nitro-1-phenyl-ethyl]cyclohexan-1-one
CAS Registry Number 84025-83-2
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey STOOUUNOLPMRGC-STQMWFEESA-N
Molecular Weight 247.294 g/mol
SMILES C(N(=O)=O)[C@]([C@]1(C(=O)CCCC1)[H])(c1ccccc1)[H]
SPLASH splash10-00di-0900000000-e35257281635b6ed9980
Source of Spectrum H-65-1649-0
Synonyms (2S)-2-[(1R)-2-nitro-1-phenyl-ethyl]cyclohexanone (2S)-2-[(1R)-2-nitro-1-phenylethyl]-1-cyclohexanone
Wiley ID 1250015