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3-Bromo-3,4-dihydro-4-butyl-2H-1-benzopyran-2-one
SpectraBase Compound ID 1MJobcCntMH
InChI InChI=1S/C13H15BrO2/c1-2-3-6-10-9-7-4-5-8-11(9)16-13(15)12(10)14/h4-5,7-8,10,12H,2-3,6H2,1H3
InChIKey WABSAUOGQJLIHM-UHFFFAOYSA-N
Mol Weight 283.17 g/mol
Molecular Formula C13H15BrO2
Exact Mass 282.025543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sCqbKo9Njy
Name 3-Bromo-3,4-dihydro-4-butyl-2H-1-benzopyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H15BrO2
InChI InChI=1S/C13H15BrO2/c1-2-3-6-10-9-7-4-5-8-11(9)16-13(15)12(10)14/h4-5,7-8,10,12H,2-3,6H2,1H3
InChIKey WABSAUOGQJLIHM-UHFFFAOYSA-N
Molecular Weight 283.165 g/mol
SMILES C1(Oc2ccccc2C(C1Br)CCCC)=O
SPLASH splash10-0a4i-0940000000-735c58e6dd002e34e866
Source of Spectrum KC-1991-207-5
Synonyms 3-bromo-4-butyl-2-chromanone
Wiley ID 1285479