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1-(4-Cyanophenyl)-5-methylpyrrolidin-2-one
SpectraBase Compound ID KfMSKVptFQ8
InChI InChI=1S/C12H12N2O/c1-9-2-7-12(15)14(9)11-5-3-10(8-13)4-6-11/h3-6,9H,2,7H2,1H3
InChIKey ORRANJNCFQNPDW-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AChgZQXKdJh
Name 1-(4-Cyanophenyl)-5-methylpyrrolidin-2-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.094963013 u
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-9-2-7-12(15)14(9)11-5-3-10(8-13)4-6-11/h3-6,9H,2,7H2,1H3
InChIKey ORRANJNCFQNPDW-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201509465
Molecular Weight 200.241 g/mol
Quality 170
SMILES C=1(C=CC(N2C(C)CCC2=O)=CC1)C#N
SPLASH splash10-0f7a-0930000000-316cce45e6c875f9db73
Source of Spectrum ACI-55-SM7-3m (DOI: 10.1002/anie.201509465)
Wiley ID 1895259