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4H-Pyrazole-4-carbonitrile, 3-[[(2-hydroxy-3-methoxyphenyl)methyl]amino]-
SpectraBase Compound ID AByjRkq6Bju
InChI InChI=1S/C12H12N4O2/c1-18-10-4-2-3-8(11(10)17)6-14-12-9(5-13)7-15-16-12/h2-4,7,9,17H,6H2,1H3,(H,14,16)
InChIKey LLFXPTFUCRXYPV-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H12N4O2
Exact Mass 244.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMLQnIKXVHe
Name 4H-Pyrazole-4-carbonitrile, 3-[[(2-hydroxy-3-methoxyphenyl)methyl]amino]-
Alternate Name(s) 3-[(2-hydroxy-3-methoxyphenyl)methylamino]-4H-pyrazole-4-carbonitrile 3-[(2-hydroxy-3-methoxy-phenyl)methylamino]-4H-pyrazole-4-carbonitrile 3-[(3-methoxy-2-oxidanyl-phenyl)methylamino]-4H-pyrazole-4-carbonitrile
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Formula C12H12N4O2
InChI InChI=1S/C12H12N4O2/c1-18-10-4-2-3-8(11(10)17)6-14-12-9(5-13)7-15-16-12/h2-4,7,9,17H,6H2,1H3,(H,14,16)
InChIKey LLFXPTFUCRXYPV-UHFFFAOYSA-N
Molecular Weight 244.254 g/mol
SMILES N(C1=NN=CC1C#N)Cc1c(c(ccc1)OC)O
SPLASH splash10-000i-8910000000-cd08cec9b6d1966b6269
Source of Spectrum IY-1-4429-4
Wiley ID 1652277