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methyl-[(4-methyl-1,3-benzodioxol-5-yl)methyl]-propargyl-amine
SpectraBase Compound ID 1b084Hk6uab
InChI InChI=1S/C13H15NO2/c1-4-7-14(3)8-11-5-6-12-13(10(11)2)16-9-15-12/h1,5-6H,7-9H2,2-3H3
InChIKey CNJDDYITSWAMBY-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdiBdgR96od
Name methyl-[(4-methyl-1,3-benzodioxol-5-yl)methyl]-propargyl-amine
Alternate Name(s) N-methyl-N-[(4-methyl-1,3-benzodioxol-5-yl)methyl]-2-propyn-1-amine N-methyl-N-[(4-methyl-1,3-benzodioxol-5-yl)methyl]prop-2-yn-1-amine
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-4-7-14(3)8-11-5-6-12-13(10(11)2)16-9-15-12/h1,5-6H,7-9H2,2-3H3
InChIKey CNJDDYITSWAMBY-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES c12c(c(CN(CC#C)C)ccc2OCO1)C
SPLASH splash10-0002-0920000000-4c51e535a5ee86cf1b79
Source of Spectrum F-54-10123-1
Wiley ID 808336