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3-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanenitrile
SpectraBase Compound ID BQLxX7YnHpH
InChI InChI=1S/C13H13N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8H2,1H3
InChIKey SSOXISBQKCWKAY-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BlGgwFbHyE
Name 3-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanenitrile
Alternate Name(s) 3-(3-Methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanenitrile 3-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-propionitrile 3-(3-Methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile 3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)propionitrile
CAS Registry Number 954-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8H2,1H3
InChIKey SSOXISBQKCWKAY-UHFFFAOYSA-N
Molecular Weight 227.267 g/mol
SMILES c1ccc(N2N=C(C)C(C2=O)CCC#N)cc1
SPLASH splash10-004r-9410000000-31f7e7e276802e3ec958
Wiley ID 1458869