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3-Bromoacetyl-4-hydroxy-6-methyl-2H-pyran-2-one
SpectraBase Compound ID 3jzGyGfCs2n
InChI InChI=1S/C8H7BrO4/c1-4-2-5(10)7(6(11)3-9)8(12)13-4/h2,10H,3H2,1H3
InChIKey HRRBHKOPCDYTJT-UHFFFAOYSA-N
Mol Weight 247.04 g/mol
Molecular Formula C8H7BrO4
Exact Mass 245.952772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 237U1uBdHbe
Name 3-Bromoacetyl-4-hydroxy-6-methyl-2H-pyran-2-one
Alternate Name(s) 3-(2-bromo-1-oxoethyl)-4-hydroxy-6-methyl-2-pyranone 3-(2-bromoacetyl)-4-hydroxy-6-methylpyran-2-one 3-(2-bromanylethanoyl)-6-methyl-4-oxidanyl-pyran-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO4
InChI InChI=1S/C8H7BrO4/c1-4-2-5(10)7(6(11)3-9)8(12)13-4/h2,10H,3H2,1H3
InChIKey HRRBHKOPCDYTJT-UHFFFAOYSA-N
Molecular Weight 247.044 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)C(=O)CBr
SPLASH splash10-00kb-0490000000-fe446f651a94eaae5ae8
Source of Spectrum Y-48-34-4
Wiley ID 1667517