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3-Acetyl-2,4-dimethylpyrrole
SpectraBase Compound ID A4o2XJfI08I
InChI InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3
InChIKey VGZCKCJMYREIKA-UHFFFAOYSA-N
Mol Weight 137.18 g/mol
Molecular Formula C8H11NO
Exact Mass 137.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fz1ikZW8vg6
Name Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)-
Alternate Name(s) 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-ethanone 2,4-Dimethyl-3-acetylpyrrole 2,4-Dimethylpyrrol-3-yl methyl ketone 3-Acetyl-2,4-dimethylpyrrole Ketone, 2,4-dimethylpyrrol-3-yl methyl AI3-60327 BRN 0109769 EINECS 219-197-1 NSC 10759
CAS Registry Number 2386-25-6
Comments Less than 3 mono-isotopic peaks
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Formula C8H11NO
InChI InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3
InChIKey VGZCKCJMYREIKA-UHFFFAOYSA-N
Molecular Weight 137.182 g/mol
SMILES [nH]1cc(c(c1C)C(=O)C)C
SPLASH splash10-00di-0900000000-d0d32de1ed7a332a2dc7
Source of Spectrum F-55-6564-23
Wiley ID 838047