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3-Acetyl-1-[2'-hydroxy-6'-(hydroxymethyl)-3'-methylpyridin-4'-ylmethyl]-2,5-dimethylpyrrole
SpectraBase Compound ID 72dKOzXblMa
InChI InChI=1S/C16H20N2O3/c1-9-5-15(12(4)20)11(3)18(9)7-13-6-14(8-19)17-16(21)10(13)2/h5-6,19H,7-8H2,1-4H3,(H,17,21)
InChIKey HRBSELWBQREJLN-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ni6s3pFgXF
Name 3-Acetyl-1-[2'-hydroxy-6'-(hydroxymethyl)-3'-methylpyridin-4'-ylmethyl]-2,5-dimethylpyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-9-5-15(12(4)20)11(3)18(9)7-13-6-14(8-19)17-16(21)10(13)2/h5-6,19H,7-8H2,1-4H3,(H,17,21)
InChIKey HRBSELWBQREJLN-UHFFFAOYSA-N
Molecular Weight 288.347 g/mol
SMILES Oc1nc(CO)cc(c1C)C[n]1c(c(C(=O)C)cc1C)C
SPLASH splash10-000b-0090000000-7173700727e9f74d0774
Source of Spectrum CRT-17-411-10f
Wiley ID 1710069