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2-[1-(4-methylphenyl)-2-nitro-ethyl]cyclopentan-1-one
SpectraBase Compound ID 1EQoBqyGagq
InChI InChI=1S/C14H17NO3/c1-10-5-7-11(8-6-10)13(9-15(17)18)12-3-2-4-14(12)16/h5-8,12-13H,2-4,9H2,1H3
InChIKey LXAYIIRCIZCMOD-UHFFFAOYSA-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 3uEPEmA1DKR
Name 2-[1-(4-methylphenyl)-2-nitro-ethyl]cyclopentan-1-one
Alternate Name(s) 2-[1-(4-methylphenyl)-2-nitroethyl]-1-cyclopentanone 2-[2-nitro-1-(p-tolyl)ethyl]cyclopentanone
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Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10-5-7-11(8-6-10)13(9-15(17)18)12-3-2-4-14(12)16/h5-8,12-13H,2-4,9H2,1H3
InChIKey LXAYIIRCIZCMOD-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C(N(=O)=O)C(C1C(=O)CCC1)c1ccc(cc1)C
SPLASH splash10-0f89-1930000000-45c8fb3388ed97fd64c4
Source of Spectrum J-60-5027-5
Wiley ID 1250092