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2-Cyclopentene-1-carbonitrile, 3-[(4-methylphenyl)amino]-4-oxo-
SpectraBase Compound ID BCTI5t8RCQ6
InChI InChI=1S/C13H12N2O/c1-9-2-4-11(5-3-9)15-12-6-10(8-14)7-13(12)16/h2-6,10,15H,7H2,1H3
InChIKey CJLRILUTDYLROH-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Uf7OVhsB1z
Name 2-Cyclopentene-1-carbonitrile, 3-[(4-methylphenyl)amino]-4-oxo-
Alternate Name(s) 3-(p-methylanilino)-4-oxocyclopent-2-ene-1-carbonitrile 4-Oxo-3-(4-toluidino)-2-cyclopentene-1-carbonitrile 3-(4-Methylanilino)-4-oxo-1-cyclopent-2-enecarbonitrile 3-(4-Methylanilino)-4-oxocyclopent-2-ene-1-carbonitrile 3-(4-Methylanilino)-4-oxo-cyclopent-2-ene-1-carbonitrile 3-[(4-methylphenyl)amino]-4-oxidanylidene-cyclopent-2-ene-1-carbonitrile
CAS Registry Number 99557-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c1-9-2-4-11(5-3-9)15-12-6-10(8-14)7-13(12)16/h2-6,10,15H,7H2,1H3
InChIKey CJLRILUTDYLROH-UHFFFAOYSA-N
Molecular Weight 212.252 g/mol
SMILES N(C=1C(CC(C#N)C1)=O)c1ccc(cc1)C
SPLASH splash10-03di-0790000000-097757ab26258af6432f
Source of Spectrum B-38-962-10
Wiley ID 1211725