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2-(1-Butyl-2-nitroallyl)cyclohexanone

View entire compound with spectra: 2 MS (GC)

2-(1-Butyl-2-nitroallyl)cyclohexanone
SpectraBase Compound ID BMWWiZxoaYg
InChI InChI=1S/C13H21NO3/c1-3-4-7-11(10(2)14(16)17)12-8-5-6-9-13(12)15/h11-12H,2-9H2,1H3
InChIKey CKUOMATWDIWMSL-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lhnaeh0cBy
Name 2-(1-Butyl-2-nitroallyl)cyclohexanone
Alternate Name(s) 2-(1-Butyl-2-nitro-2-propenyl)cyclohexanone 2-(2-nitrohept-1-en-3-yl)-1-cyclohexanone 2-(2-nitrohept-1-en-3-yl)cyclohexan-1-one 2-[1-(1-Nitrovinyl)pentyl]cyclohexanone
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Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-3-4-7-11(10(2)14(16)17)12-8-5-6-9-13(12)15/h11-12H,2-9H2,1H3
InChIKey CKUOMATWDIWMSL-UHFFFAOYSA-N
Molecular Weight 239.315 g/mol
SMILES C(N(=O)=O)(C(C1CCCCC1=O)CCCC)=C
SPLASH splash10-002g-9300000000-caf5e155c3b1b5b5b308
Wiley ID 1483102