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p-(Salicylideneamino)benzonitrile

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

p-(Salicylideneamino)benzonitrile
SpectraBase Compound ID 5LRklvm2kIi
InChI InChI=1S/C14H10N2O/c15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17/h1-8,10,17H/b16-10+
InChIKey MCPDIZHVMWCVAM-MHWRWJLKSA-N
Mol Weight 222.25 g/mol
Molecular Formula C14H10N2O
Exact Mass 222.079313 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BzTdgT3vroC
Name p-(Salicylideneamino)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.079312949 u
Formula C14H10N2O
InChI InChI=1S/C14H10N2O/c15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17/h1-8,10,17H/b16-10+
InChIKey MCPDIZHVMWCVAM-MHWRWJLKSA-N
Molecular Weight 222.247 g/mol
SMILES OC=1C(=CC=CC1)\C=N\C=1C=CC(=CC1)C#N
Spectrum/Structure Validation Score (Raman) 0.948064