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(4-bromo-1,3-benzodioxol-5-yl)methyl-methyl-propargyl-amine
SpectraBase Compound ID 59Ch5WlqWD9
InChI InChI=1S/C12H12BrNO2/c1-3-6-14(2)7-9-4-5-10-12(11(9)13)16-8-15-10/h1,4-5H,6-8H2,2H3
InChIKey NBBDYOBCSQPKAP-UHFFFAOYSA-N
Mol Weight 282.14 g/mol
Molecular Formula C12H12BrNO2
Exact Mass 281.005142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XHVLSy4wNl
Name (4-bromo-1,3-benzodioxol-5-yl)methyl-methyl-propargyl-amine
Comments Less than 3 mono-isotopic peaks
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Formula C12H12BrNO2
InChI InChI=1S/C12H12BrNO2/c1-3-6-14(2)7-9-4-5-10-12(11(9)13)16-8-15-10/h1,4-5H,6-8H2,2H3
InChIKey NBBDYOBCSQPKAP-UHFFFAOYSA-N
Molecular Weight 282.137 g/mol
SMILES c12c(c(CN(CC#C)C)ccc2OCO1)Br
SPLASH splash10-014i-0090000000-89021e8b6943b181d1cb
Source of Spectrum F-54-10122-1
Synonyms N-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-methyl-prop-2-yn-1-amine N-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-N-methyl-2-propyn-1-amine N-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-N-methyl-prop-2-yn-1-amine
Wiley ID 808342