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6,7-(Methylenedioxy)-N-methyl-5-methoxy-isoquinolone
SpectraBase Compound ID IG0RObfrDOp
InChI InChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9-11(10(7)15-2)17-6-16-9/h5H,3-4,6H2,1-2H3
InChIKey ONPOXXGCIAQPEL-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLFTatsQD5A
Name 6,7-(Methylenedioxy)-N-methyl-5-methoxy-isoquinolone
Alternate Name(s) 6,7-(Methylenedioxy)-N-methyl-8-methoxy-isoquinolone 9-Methoxy-6-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one Thalflavine 9-Methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
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Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9-11(10(7)15-2)17-6-16-9/h5H,3-4,6H2,1-2H3
InChIKey ONPOXXGCIAQPEL-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES c12C(N(C)CCc2c(OC)c2c(c1)OCO2)=O
SPLASH splash10-01p6-0940000000-047668b99961c288efde
Source of Spectrum X2-45-380-13
Wiley ID 1600982