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5-(1,3-benzodioxol-5-yl)pyrimidine-2,4-diamine
SpectraBase Compound ID 9jEOJuU53l5
InChI InChI=1S/C11H10N4O2/c12-10-7(4-14-11(13)15-10)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H4,12,13,14,15)
InChIKey NFZRJUBPHUSDBO-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C11H10N4O2
Exact Mass 230.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tryKxNzkYV
Name 5-(1,3-benzodioxol-5-yl)pyrimidine-2,4-diamine
Alternate Name(s) [2-amino-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C11H10N4O2
InChI InChI=1S/C11H10N4O2/c12-10-7(4-14-11(13)15-10)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H4,12,13,14,15)
InChIKey NFZRJUBPHUSDBO-UHFFFAOYSA-N
Molecular Weight 230.227 g/mol
SMILES Nc1nc(c(cn1)-c1cc2OCOc2cc1)N
SPLASH splash10-001i-0090000000-3dcac3f1127765a79727
Source of Spectrum JA-49-647-0
Wiley ID 1231402