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4-[(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZBkETYFZE8
Name 4-[(4-Methoxyphenyl)ethynyl]benzaldehyde
Appearance Colorless solid
Copyright Copyright © 2020-2024 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
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201508461
Molecular Weight 236.270 g/mol
Quality 136
Reported Formula C16H12O2
SMILES COC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C=O
SPLASH splash10-000i-0290000000-d48396f658dd6b4feeb5
Source of Spectrum ACI-55-SM10-1k (DOI: 10.1002/anie.201508461)
Thin-Layer Chromatography 0.35 (PE/EA, 5:1)
Wiley ID 1897468