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2-(Phenylethynyl) isophthalaldehyde
SpectraBase Compound ID 6FQ0dmielZU
InChI InChI=1S/C16H10O2/c17-11-14-7-4-8-15(12-18)16(14)10-9-13-5-2-1-3-6-13/h1-8,11-12H
InChIKey FWIYLNIPUPGZKQ-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C16H10O2
Exact Mass 234.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ryfF7imaO
Name 2-(Phenylethynyl) isophthalaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10O2
InChI InChI=1S/C16H10O2/c17-11-14-7-4-8-15(12-18)16(14)10-9-13-5-2-1-3-6-13/h1-8,11-12H
InChIKey FWIYLNIPUPGZKQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405889
Molecular Weight 234.254 g/mol
Quality 2
Reported Formula C16H10O2
SMILES C1(=CC=CC=C1)C#CC1=C(C=CC=C1C=O)C=O
SPLASH splash10-0a7i-0290000000-f413dc114e4c1aba58bc
Source of Spectrum QE-21-SM3-3-2 (DOI: 10.1002/chem.201405889)
Wiley ID 1909042