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4-((2-Chlorophenyl)ethynyl)-5-isopropylfuran-2(5H)-one
SpectraBase Compound ID BYb76b05LQ5
InChI InChI=1S/C15H13ClO2/c1-10(2)15-12(9-14(17)18-15)8-7-11-5-3-4-6-13(11)16/h3-6,9-10,15H,1-2H3
InChIKey GIJXMDIPWDILCY-UHFFFAOYSA-N
Mol Weight 260.72 g/mol
Molecular Formula C15H13ClO2
Exact Mass 260.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuUHQEL5o2v
Name 4-((2-Chlorophenyl)ethynyl)-5-isopropylfuran-2(5H)-one
Appearance Slightly yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.060407357 u
Formula C15H13ClO2
InChI InChI=1S/C15H13ClO2/c1-10(2)15-12(9-14(17)18-15)8-7-11-5-3-4-6-13(11)16/h3-6,9-10,15H,1-2H3
InChIKey GIJXMDIPWDILCY-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201902213
Molecular Weight 260.720 g/mol
Quality 22
Reported Formula C15H13ClO2
SMILES C1(Cl)=C(C=CC=C1)C#CC1=CC(OC1C(C)C)=O
SPLASH splash10-03xr-0490000000-43020e2c67d4090b221f
Source of Spectrum QE-25-SM24-3g (DOI: 10.1002/chem.201902213)
Thin-Layer Chromatography 0.11 (PE/EA, 20:1)
Wiley ID 1893868