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1-(4'-Methoxyphenyl)-4-nitro-1-butanone
SpectraBase Compound ID CaLSBUTj3Wz
InChI InChI=1S/C11H13NO4/c1-16-10-6-4-9(5-7-10)11(13)3-2-8-12(14)15/h4-7H,2-3,8H2,1H3
InChIKey DTMZIPDHKULYJD-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87p7HzWKjv
Name 1-(4'-Methoxyphenyl)-4-nitro-1-butanone
Alternate Name(s) 1-(4-methoxyphenyl)-4-nitro-1-butanone
Comments Less than 3 mono-isotopic peaks
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Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-16-10-6-4-9(5-7-10)11(13)3-2-8-12(14)15/h4-7H,2-3,8H2,1H3
InChIKey DTMZIPDHKULYJD-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C(CCCN(=O)=O)(=O)c1ccc(cc1)OC
SPLASH splash10-000i-0930000000-740c176897bebe340fc6
Source of Spectrum F-51-1782-1
Wiley ID 790905