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2-(4-Bromobutyl)-1,4-benzodioxine
SpectraBase Compound ID yQjbQOaY7N
InChI InChI=1S/C12H13BrO2/c13-8-4-3-5-10-9-14-11-6-1-2-7-12(11)15-10/h1-2,6-7,9H,3-5,8H2
InChIKey DBIVZGJPLSQCDQ-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 JTEESiQYwZe
Name 2-(4-Bromobutyl)-1,4-benzodioxine
Comments Less than 3 mono-isotopic peaks
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Formula C12H13BrO2
InChI InChI=1S/C12H13BrO2/c13-8-4-3-5-10-9-14-11-6-1-2-7-12(11)15-10/h1-2,6-7,9H,3-5,8H2
InChIKey DBIVZGJPLSQCDQ-UHFFFAOYSA-N
Molecular Weight 269.138 g/mol
SMILES C=1(Oc2c(OC1)cccc2)CCCCBr
SPLASH splash10-0002-0980000000-81615328d3aeb16dcf3e
Source of Spectrum SO-0-323-1
Synonyms 2-(4-bromobutyl)-1,4-benzodioxin
Wiley ID 1537740