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1-(4-Bromophenyl)-1,4-pentandione
SpectraBase Compound ID 5nAMaszeat3
InChI InChI=1S/C11H11BrO2/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7H2,1H3
InChIKey WQHAUGRATDZWJB-UHFFFAOYSA-N
Mol Weight 255.11 g/mol
Molecular Formula C11H11BrO2
Exact Mass 253.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fZtKmQ42GN
Name 1-(4'-Bromophenylpentane-1,4-dione
CAS Registry Number 2108-56-7
Comments Less than 3 mono-isotopic peaks
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Formula C11H11BrO2
InChI InChI=1S/C11H11BrO2/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7H2,1H3
InChIKey WQHAUGRATDZWJB-UHFFFAOYSA-N
Molecular Weight 255.111 g/mol
SMILES C(c1ccc(cc1)Br)(=O)CCC(=O)C
SPLASH splash10-001i-0910000000-e41a81d1547d2da056b8
Source of Spectrum HE-2004-1190-1
Wiley ID 1581801