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2-(1,3-benzodioxol-5-yl)-3-methoxy-6-(methylthio)imidazo[1,2-b]pyridazine
SpectraBase Compound ID AjPKcdSIBRX
InChI InChI=1S/C15H13N3O3S/c1-19-15-14(9-3-4-10-11(7-9)21-8-20-10)16-12-5-6-13(22-2)17-18(12)15/h3-7H,8H2,1-2H3
InChIKey JTQSDVMZJQZHKC-UHFFFAOYSA-N
Mol Weight 315.35 g/mol
Molecular Formula C15H13N3O3S
Exact Mass 315.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Un4WfUWDla
Name 2-(1,3-benzodioxol-5-yl)-3-methoxy-6-(methylthio)imidazo[1,2-b]pyridazine
Alternate Name(s) 2-(1,3-benzodioxol-5-yl)-3-methoxy-6-methylsulfanylimidazo[1,2-b]pyridazine
Comments Less than 3 mono-isotopic peaks
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Formula C15H13N3O3S
InChI InChI=1S/C15H13N3O3S/c1-19-15-14(9-3-4-10-11(7-9)21-8-20-10)16-12-5-6-13(22-2)17-18(12)15/h3-7H,8H2,1-2H3
InChIKey JTQSDVMZJQZHKC-UHFFFAOYSA-N
Molecular Weight 315.347 g/mol
SMILES c1([n]2c(nc1-c1cc3OCOc3cc1)C=CC(=N2)SC)OC
SPLASH splash10-00xr-0089000000-e6b6332b53a2b43f4a86
Source of Spectrum B-47-2001-0
Wiley ID 1315872