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N-(4-Chloro-2-cyanophenyl)benzamide

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

N-(4-Chloro-2-cyanophenyl)benzamide
SpectraBase Compound ID HJhhgtIINjX
InChI InChI=1S/C14H9ClN2O/c15-12-6-7-13(11(8-12)9-16)17-14(18)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChIKey BXOVMAIHRLRJCE-UHFFFAOYSA-N
Mol Weight 256.69 g/mol
Molecular Formula C14H9ClN2O
Exact Mass 256.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4b9XOMD2wqd
Name N-(4-Chloro-2-cyanophenyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.040340617 u
Formula C14H9ClN2O
InChI InChI=1S/C14H9ClN2O/c15-12-6-7-13(11(8-12)9-16)17-14(18)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChIKey BXOVMAIHRLRJCE-UHFFFAOYSA-N
Molecular Weight 256.692 g/mol
SMILES C(NC1=C(C#N)C=C(C=C1)Cl)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981232