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3-(5-Methyl-3-phenyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
SpectraBase Compound ID 9CTJ6kZmfAo
InChI InChI=1S/C13H11N3O/c1-10-9-12(11-5-3-2-4-6-11)15-16(10)13(17)7-8-14/h2-6,9H,7H2,1H3
InChIKey YBXFTKXFBTZTDU-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C13H11N3O
Exact Mass 225.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WHCfROWLiX
Name 3-(5-Methyl-3-phenyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
Alternate Name(s) 3-(5-Methyl-3-phenyl-1-pyrazolyl)-3-oxopropanenitrile 3-(5-Methyl-3-phenyl-pyrazol-1-yl)-3-oxidanylidene-propanenitrile 3-(5-Methyl-3-phenyl-pyrazol-1-yl)-3-oxo-propanenitrile 3-keto-3-(5-methyl-3-phenyl-pyrazol-1-yl)propionitrile Propionitrile, 3-(5-methyl-3-phenyl-1-pyrazolyl)-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O
InChI InChI=1S/C13H11N3O/c1-10-9-12(11-5-3-2-4-6-11)15-16(10)13(17)7-8-14/h2-6,9H,7H2,1H3
InChIKey YBXFTKXFBTZTDU-UHFFFAOYSA-N
Molecular Weight 225.251 g/mol
SMILES c1ccc(-c2n[n](c(c2)C)C(=O)CC#N)cc1
SPLASH splash10-004i-4690000000-8a5c4bba77be3a015f5a
Source of Spectrum AD-0-2532-0
Wiley ID 1424813