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2-[(4-Methoxyphenyl)ethynyl]aniline

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

2-[(4-Methoxyphenyl)ethynyl]aniline
SpectraBase Compound ID HUqyBOBcgod
InChI InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3
InChIKey YAXVIURCVHCTST-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 247pPVfoF03
Name 2-[(4-Methoxyphenyl)ethynyl]aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.099714042 u
Formula C15H13NO
InChI InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3
InChIKey YAXVIURCVHCTST-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES C(#CC1=CC=C(C=C1)OC)C1=C(N)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909957