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4-Chloro-2-phenylethynylaniline

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-Chloro-2-phenylethynylaniline
SpectraBase Compound ID 67yagaG7vlB
InChI InChI=1S/C14H10ClN/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,16H2
InChIKey JUMNQMVRAKHPJD-UHFFFAOYSA-N
Mol Weight 227.69 g/mol
Molecular Formula C14H10ClN
Exact Mass 227.050177 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AKpWFcJwGN6
Name 4-Chloro-2-(phenylethynyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.050177026 u
Formula C14H10ClN
InChI InChI=1S/C14H10ClN/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,16H2
InChIKey JUMNQMVRAKHPJD-UHFFFAOYSA-N
Molecular Weight 227.694 g/mol
SMILES C=1(N)C(=CC(=CC1)Cl)C#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937712