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.alpha.-Nitro-3.5-dimethylacetophenone
SpectraBase Compound ID 8AscZl0Kb6e
InChI InChI=1S/C10H11NO3/c1-7-3-8(2)5-9(4-7)10(12)6-11(13)14/h3-5H,6H2,1-2H3
InChIKey WXJJAFIYQQVUOU-UHFFFAOYSA-N
Mol Weight 193.2 g/mol
Molecular Formula C10H11NO3
Exact Mass 193.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cM91XUYbDS
Name .alpha.-Nitro-3.5-dimethylacetophenone
Comments Less than 3 mono-isotopic peaks
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Formula C10H11NO3
InChI InChI=1S/C10H11NO3/c1-7-3-8(2)5-9(4-7)10(12)6-11(13)14/h3-5H,6H2,1-2H3
InChIKey WXJJAFIYQQVUOU-UHFFFAOYSA-N
Molecular Weight 193.202 g/mol
SMILES C(N(=O)=O)C(c1cc(C)cc(c1)C)=O
SPLASH splash10-001i-0900000000-d0018885174fa71f161e
Source of Spectrum SO-1978-478-3
Synonyms 1-(3,5-dimethylphenyl)-2-nitroethanone
Wiley ID 1537082