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1-(4'-bromophenyl)-4-methyl-1,3-pentanedione
SpectraBase Compound ID AfzoPrH4McB
InChI InChI=1S/C12H13BrO2/c1-8(2)11(14)7-12(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey BWYWSTJKCODZRQ-UHFFFAOYSA-N
Mol Weight 269.14 g/mol
Molecular Formula C12H13BrO2
Exact Mass 268.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YpIbCIYzY
Name 1-(4'-bromophenyl)-4-methyl-1,3-pentanedione
Alternate Name(s) 1-(4-bromophenyl)-4-methyl-1,3-pentanedione 1-(4-bromophenyl)-4-methylpentane-1,3-dione
CAS Registry Number 137919-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrO2
InChI InChI=1S/C12H13BrO2/c1-8(2)11(14)7-12(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey BWYWSTJKCODZRQ-UHFFFAOYSA-N
Molecular Weight 269.138 g/mol
SMILES C(C(c1ccc(cc1)Br)=O)C(=O)C(C)C
SPLASH splash10-016r-7490000000-51fa8644507f9a8d86c7
Source of Spectrum K-125-521-6
Wiley ID 1271713