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4-Cyano-1,2,2-trimethyl-5-phenyl-pyrrole-3-one
SpectraBase Compound ID IHbwv4M7s4Z
InChI InChI=1S/C14H14N2O/c1-14(2)13(17)11(9-15)12(16(14)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PMRXQEHOVODHRF-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sQoEtR1Ecf
Name 4-Cyano-1,2,2-trimethyl-5-phenyl-pyrrole-3-one
Alternate Name(s) 1,5,5-trimethyl-4-oxo-2-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile 4-Cyano-1,2,2-trimethyl-5-phenylpyrrolidin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c1-14(2)13(17)11(9-15)12(16(14)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PMRXQEHOVODHRF-UHFFFAOYSA-N
Molecular Weight 226.279 g/mol
SMILES C1(=C(N(C)C(C1=O)(C)C)c1ccccc1)C#N
SPLASH splash10-004i-1290000000-6cdb2f34f9b1ae56361f
Source of Spectrum F-53-9584-7
Wiley ID 802835