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N-(4-naphthoquinone)-methylenedioxymethamphetamine
SpectraBase Compound ID iDdvVJgHOg
InChI InChI=1S/C21H19NO4/c1-13(9-14-7-8-19-20(10-14)26-12-25-19)22(2)17-11-18(23)21(24)16-6-4-3-5-15(16)17/h3-8,10-11,13H,9,12H2,1-2H3
InChIKey XDBRUULHVHQRCE-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wNC6U4Smmy
Name N-(4-naphthoquinone)-methylenedioxymethamphetamine
Alternate Name(s) 4-[(2-Benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-methyl-amino]-[1,2]naphthoquinone 4-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl](methyl)amino]-1,2-naphthalenedione
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Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-13(9-14-7-8-19-20(10-14)26-12-25-19)22(2)17-11-18(23)21(24)16-6-4-3-5-15(16)17/h3-8,10-11,13H,9,12H2,1-2H3
InChIKey XDBRUULHVHQRCE-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES C1(=CC(=O)C(c2c1cccc2)=O)N(C(Cc1cc2OCOc2cc1)C)C
SPLASH splash10-01p9-0930000000-7ccc891e9914029db8f9
Source of Spectrum O-27-1284-0
Wiley ID 1341449