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4-[2-(4-Methoxyphenyl)ethynyl]benzaldehyde

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

4-[2-(4-Methoxyphenyl)ethynyl]benzaldehyde
SpectraBase Compound ID FaU8NPVYEP5
InChI InChI=1S/C16H12O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,1H3
InChIKey NTZKYLWDRVUACN-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gh4ChGGQokB
Name 4-[2-(4-Methoxyphenyl)ethynyl]benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,1H3
InChIKey NTZKYLWDRVUACN-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C1(=CC=C(C=C1)C#CC1=CC=C(C=O)C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818043