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2-(3-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
SpectraBase Compound ID 8cusgfXHbor
InChI InChI=1S/C12H10N4O2/c1-18-9-4-2-3-8(5-9)10-6-11-12(17)14-13-7-16(11)15-10/h2-7H,1H3,(H,14,17)
InChIKey RKXXUXIMXWBYNU-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AakKaDogrI9
Name 2-(3-Methoxyphenyl)pyrazolo[1,5-D][1,2,4]triazin-4(5H)-one
Comments Computed using HOSE algorithm
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Exact Mass 242.080375576 u
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c1-18-9-4-2-3-8(5-9)10-6-11-12(17)14-13-7-16(11)15-10/h2-7H,1H3,(H,14,17)
InChIKey RKXXUXIMXWBYNU-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
SMILES N1C(C=2N(C=N1)N=C(C2)C1=CC(OC)=CC=C1)=O