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Benzonitrile, 4-[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)methyl]-
SpectraBase Compound ID 6a1u2Kpf9X
InChI InChI=1S/C12H11N3O/c1-9-7-15(14-12(9)16)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,16)
InChIKey SCBABPHPVQSNOX-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COXtRr5jxFx
Name Benzonitrile, 4-[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)methyl]-
Alternate Name(s) 4-((4-methyl-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)methyl)benzonitrile 4-[(4-methyl-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)methyl]benzonitrile 4-[(4-methyl-5-oxo-1H-pyrazol-2-yl)methyl]benzonitrile 4-[(4-methyl-5-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c1-9-7-15(14-12(9)16)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,16)
InChIKey SCBABPHPVQSNOX-UHFFFAOYSA-N
Molecular Weight 213.240 g/mol
SMILES N1C(C(=CN1Cc1ccc(C#N)cc1)C)=O
SPLASH splash10-02t9-5950000000-0f21878e938eb4196a94
Source of Spectrum JX-2015-0-161
Wiley ID 1720137