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2-((2,4,5-trimethylphenyl)ethynyl)benzaldehyde
SpectraBase Compound ID GeQA9p9cNtF
InChI InChI=1S/C18H16O/c1-13-10-15(3)17(11-14(13)2)9-8-16-6-4-5-7-18(16)12-19/h4-7,10-12H,1-3H3
InChIKey DSVHVLKLDKEYKR-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C18H16O
Exact Mass 248.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rAWkAoWnVP
Name 2-((2,4,5-trimethylphenyl)ethynyl)benzaldehyde
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.120115134 u
Formula C18H16O
InChI InChI=1S/C18H16O/c1-13-10-15(3)17(11-14(13)2)9-8-16-6-4-5-7-18(16)12-19/h4-7,10-12H,1-3H3
InChIKey DSVHVLKLDKEYKR-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 248.325 g/mol
Reported Formula C18H16O
SMILES CC=1C(=CC(=C(C1)C#CC1=C(C=CC=C1)C=O)C)C
SPLASH splash10-000t-0090000000-cc50a05cb5f8993817c7
Source of Spectrum QE-21-SM7-If (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.80 (PE/EA, 5:1)
Wiley ID 1907126