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2-(Benzhydrylideneamino)propanenitrile

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

2-(Benzhydrylideneamino)propanenitrile
SpectraBase Compound ID 7OQ5sm5izl3
InChI InChI=1S/C16H14N2/c1-13(12-17)18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,1H3
InChIKey YLEXCOLWGIBVKH-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C16H14N2
Exact Mass 234.115698 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CbeldZzpreI
Name 2-(Benzhydrylideneamino)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.115698459 u
Formula C16H14N2
InChI InChI=1S/C16H14N2/c1-13(12-17)18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,1H3
InChIKey YLEXCOLWGIBVKH-UHFFFAOYSA-N
Molecular Weight 234.302 g/mol
SMILES C(=NC(C#N)C)(C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905677