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4-Bromo-3-n-propyl-5-(phenyl)-2(5H)-furanone
SpectraBase Compound ID HT1YHrCGV6M
InChI InChI=1S/C13H13BrO2/c1-2-6-10-11(14)12(16-13(10)15)9-7-4-3-5-8-9/h3-5,7-8,12H,2,6H2,1H3
InChIKey IUZLEGXGPCIZIN-UHFFFAOYSA-N
Mol Weight 281.15 g/mol
Molecular Formula C13H13BrO2
Exact Mass 280.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEl2JtcVoq2
Name 4-Bromo-3-n-propyl-5-(phenyl)-2(5H)-furanone
Alternate Name(s) 4-bromo-5-phenyl-3-propyl-2(5H)-furanone 3-bromanyl-2-phenyl-4-propyl-2H-furan-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c1-2-6-10-11(14)12(16-13(10)15)9-7-4-3-5-8-9/h3-5,7-8,12H,2,6H2,1H3
InChIKey IUZLEGXGPCIZIN-UHFFFAOYSA-N
Molecular Weight 281.149 g/mol
SMILES C1(OC(C(=C1CCC)Br)c1ccccc1)=O
SPLASH splash10-004i-9000000000-681d1880cc61c5aed04c
Source of Spectrum J-64-9317-2
Wiley ID 1531814