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5-Amino-1-(1,3-benzodioxole-5-carbonyl)pyrazole-4-carbonitrile
SpectraBase Compound ID 4gxrT95UR3Q
InChI InChI=1S/C12H8N4O3/c13-4-8-5-15-16(11(8)14)12(17)7-1-2-9-10(3-7)19-6-18-9/h1-3,5H,6,14H2
InChIKey YMUMAAXJWAWNOF-UHFFFAOYSA-N
Mol Weight 256.22 g/mol
Molecular Formula C12H8N4O3
Exact Mass 256.05964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDjCtxPV0Pq
Name 5-Amino-1-(1,3-benzodioxole-5-carbonyl)pyrazole-4-carbonitrile
Alternate Name(s) 5-Amino-1-(benzo[1,3]dioxole-5-carbonyl)-1H-pyrazole-4-carbonitrile 5-Amino-1-piperonyloyl-pyrazole-4-carbonitrile 5-Amino-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-pyrazolecarbonitrile 5-Azanyl-1-(1,3-benzodioxol-5-ylcarbonyl)pyrazole-4-carbonitrile
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Formula C12H8N4O3
InChI InChI=1S/C12H8N4O3/c13-4-8-5-15-16(11(8)14)12(17)7-1-2-9-10(3-7)19-6-18-9/h1-3,5H,6,14H2
InChIKey YMUMAAXJWAWNOF-UHFFFAOYSA-N
Molecular Weight 256.221 g/mol
SMILES Nc1[n](ncc1C#N)C(c1cc2OCOc2cc1)=O
SPLASH splash10-0002-4910000000-c8ca88a962b68a9d84a0
Wiley ID 1466391