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2-(p-tolylethynyl)benzaldehyde
SpectraBase Compound ID FQMt1ApzbrP
InChI InChI=1S/C16H12O/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17/h2-9,12H,1H3
InChIKey WBXZJUGIVVHLBD-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C16H12O
Exact Mass 220.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KE4gtwAXzIn
Name 2-(p-tolylethynyl)benzaldehyde
Appearance Yellow solid
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Exact Mass 220.088815005 u
Formula C16H12O
InChI InChI=1S/C16H12O/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17/h2-9,12H,1H3
InChIKey WBXZJUGIVVHLBD-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 220.271 g/mol
Quality 39
Reported Formula C16H12O
SMILES C1(=CC=C(C=C1)C)C#CC1=C(C=CC=C1)C=O
SPLASH splash10-00di-0490000000-297de6b4833046c74733
Source of Spectrum QE-21-SM6-Ie (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.38 (PE/EA, 5:1)
Wiley ID 1907125