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1-Benzoyl-3-amino-4-cyano-3-pyrroline

View entire compound with spectra: 1 FTIR

1-Benzoyl-3-amino-4-cyano-3-pyrroline
SpectraBase Compound ID 7NYRjoDpK8m
InChI InChI=1S/C12H11N3O/c13-6-10-7-15(8-11(10)14)12(16)9-4-2-1-3-5-9/h1-5H,7-8,14H2
InChIKey XXMHBRHRKQBMLB-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KTitao2daD7
Name 1-Benzoyl-3-amino-4-cyano-3-pyrroline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.090211985 u
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c13-6-10-7-15(8-11(10)14)12(16)9-4-2-1-3-5-9/h1-5H,7-8,14H2
InChIKey XXMHBRHRKQBMLB-UHFFFAOYSA-N
Molecular Weight 213.240 g/mol
SMILES C1=CC=CC(=C1)C(N1CC(=C(C1)C#N)N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942531