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(E)-2-benzoyl-3-(dimethylamino)-2-propenenitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-2-benzoyl-3-(dimethylamino)-2-propenenitrile
SpectraBase Compound ID FnyzUTWftL6
InChI InChI=1S/C12H12N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,9H,1-2H3/b11-9+
InChIKey ZHLDDWYMGDGHRL-PKNBQFBNSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C0FuQoXzb7C
Name (E)-2-Benzoyl-3-(dimethylamino)-2-propenenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.094963013 u
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,9H,1-2H3/b11-9+
InChIKey ZHLDDWYMGDGHRL-PKNBQFBNSA-N
Molecular Weight 200.241 g/mol
SMILES C(\C(=C\N(C)C)C#N)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929236