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2-(2-Chloro-p-toluidino)-3-cyanomaleimide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2-(2-Chloro-p-toluidino)-3-cyanomaleimide
SpectraBase Compound ID Cbzi3c064KJ
InChI InChI=1S/C12H8ClN3O2/c1-6-2-3-9(8(13)4-6)15-10-7(5-14)11(17)16-12(10)18/h2-4H,1H3,(H2,15,16,17,18)
InChIKey FYGHMIIERFQBRU-UHFFFAOYSA-N
Mol Weight 261.67 g/mol
Molecular Formula C12H8ClN3O2
Exact Mass 261.030504 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K0UtE5XytpE
Name 2-(2-Chloro-p-toluidino)-3-cyanomaleimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.030504208 u
Formula C12H8ClN3O2
InChI InChI=1S/C12H8ClN3O2/c1-6-2-3-9(8(13)4-6)15-10-7(5-14)11(17)16-12(10)18/h2-4H,1H3,(H2,15,16,17,18)
InChIKey FYGHMIIERFQBRU-UHFFFAOYSA-N
Molecular Weight 261.668 g/mol
SMILES N(C1=CC=C(C=C1Cl)C)C1=C(C(NC1=O)=O)C#N
Spectrum/Structure Validation Score (Raman) 0.971633