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2-((3-methoxyphenyl)ethynyl)benzaldehyde
SpectraBase Compound ID 45zwUCilQHv
InChI InChI=1S/C16H12O2/c1-18-16-8-4-5-13(11-16)9-10-14-6-2-3-7-15(14)12-17/h2-8,11-12H,1H3
InChIKey DWTSTWUWFPRDSU-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 AHgrtEcRiTa
Name 2-((3-methoxyphenyl)ethynyl)benzaldehyde
Appearance Yellow oil
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Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-18-16-8-4-5-13(11-16)9-10-14-6-2-3-7-15(14)12-17/h2-8,11-12H,1H3
InChIKey DWTSTWUWFPRDSU-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 236.270 g/mol
Quality 25
Reported Formula C16H12O2
SMILES COC=1C=C(C=CC1)C#CC1=C(C=CC=C1)C=O
SPLASH splash10-000i-0490000000-ccd5043570514e8de809
Source of Spectrum QE-21-SM8-Ih (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.63 (PE/EA, 5:1)
Wiley ID 1907128