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5-[(E)-3-Bromopropenyl]-2,2-dimethylbenzo[1,3]dioxin-4-one
SpectraBase Compound ID FxZxittCS4u
InChI InChI=1S/C13H13BrO3/c1-13(2)16-10-7-3-5-9(6-4-8-14)11(10)12(15)17-13/h3-7H,8H2,1-2H3/b6-4+
InChIKey YSTKAXABTWFFOU-GQCTYLIASA-N
Mol Weight 297.15 g/mol
Molecular Formula C13H13BrO3
Exact Mass 296.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdgtssmbT5v
Name 5-[(E)-3-Bromopropenyl]-2,2-dimethylbenzo[1,3]dioxin-4-one
Alternate Name(s) (E)-5-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
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Formula C13H13BrO3
InChI InChI=1S/C13H13BrO3/c1-13(2)16-10-7-3-5-9(6-4-8-14)11(10)12(15)17-13/h3-7H,8H2,1-2H3/b6-4+
InChIKey YSTKAXABTWFFOU-GQCTYLIASA-N
Literature Reference DOI 10.1021/ol070240k
Molecular Weight 297.148 g/mol
SMILES CC1(C)OC(c2c(cccc2\C=C\CBr)O1)=O
SPLASH splash10-0a4i-0940000000-5730ea11502e331ef98d
Source of Spectrum A1-9-1453/SMS3-arb1
Wiley ID 1758056