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3-(N-Benzylamino)-2-formylprop-2-ene-nitrile

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

3-(N-Benzylamino)-2-formylprop-2-ene-nitrile
SpectraBase Compound ID 2lszs2KOywe
InChI InChI=1S/C11H10N2O/c12-6-11(9-14)8-13-7-10-4-2-1-3-5-10/h1-5,8-9,13H,7H2/b11-8+
InChIKey LVRHPZLFHVCEGM-DHZHZOJOSA-N
Mol Weight 186.21 g/mol
Molecular Formula C11H10N2O
Exact Mass 186.079313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DlJS8exKOTC
Name 3-(N-Benzylamino)-2-formylprop-2-ene-nitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.079312949 u
Formula C11H10N2O
InChI InChI=1S/C11H10N2O/c12-6-11(9-14)8-13-7-10-4-2-1-3-5-10/h1-5,8-9,13H,7H2/b11-8+
InChIKey LVRHPZLFHVCEGM-DHZHZOJOSA-N
Molecular Weight 186.214 g/mol
SMILES C(\C(=C/NCC=1C=CC=CC1)C=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917954