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3-bromanyl-6-(hydroxymethyl)-4-methyl-pyran-2-one
SpectraBase Compound ID Hiqk9lFEYvA
InChI InChI=1S/C7H7BrO3/c1-4-2-5(3-9)11-7(10)6(4)8/h2,9H,3H2,1H3
InChIKey FSKWWKCPAFQLEW-UHFFFAOYSA-N
Mol Weight 219.03 g/mol
Molecular Formula C7H7BrO3
Exact Mass 217.957857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLDwY9swwkx
Name 3-bromanyl-6-(hydroxymethyl)-4-methyl-pyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C7H7BrO3
InChI InChI=1S/C7H7BrO3/c1-4-2-5(3-9)11-7(10)6(4)8/h2,9H,3H2,1H3
InChIKey FSKWWKCPAFQLEW-UHFFFAOYSA-N
Molecular Weight 219.034 g/mol
SMILES OCC1=CC(=C(C(O1)=O)Br)C
SPLASH splash10-000l-0940000000-9aee1e6acfc15544ef3f
Source of Spectrum Y-29-928-6
Synonyms 3-bromo-4-methyl-6-methylol-pyran-2-one 3-bromo-6-(hydroxymethyl)-4-methyl-2-pyranone 3-bromo-6-(hydroxymethyl)-4-methyl-pyran-2-one
Wiley ID 1216961