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5-Bromo-3,3-dimethyl-4-oxopentanoic acid
SpectraBase Compound ID 4rl50aOVDoA
InChI InChI=1S/C7H11BrO3/c1-7(2,3-6(10)11)5(9)4-8/h3-4H2,1-2H3,(H,10,11)
InChIKey GQFWGAMTJBZDQJ-UHFFFAOYSA-N
Mol Weight 223.07 g/mol
Molecular Formula C7H11BrO3
Exact Mass 221.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RVfneF549n
Name 5-Bromo-3,3-dimethyl-4-oxopentanoic acid
Alternate Name(s) 5-Bromanyl-3,3-dimethyl-4-oxidanylidene-pentanoic acid 5-Bromo-4-keto-3,3-dimethyl-valeric acid Levulinic acid, 5-bromo-3,3-dimethyl-
CAS Registry Number 32357-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11BrO3
InChI InChI=1S/C7H11BrO3/c1-7(2,3-6(10)11)5(9)4-8/h3-4H2,1-2H3,(H,10,11)
InChIKey GQFWGAMTJBZDQJ-UHFFFAOYSA-N
Molecular Weight 223.066 g/mol
SMILES OC(CC(C(CBr)=O)(C)C)=O
SPLASH splash10-0a4i-9000000000-d0152b655215c3e35f58
Wiley ID 1489835