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4-((4-Chlorophenyl)ethynyl)-5-isopropylfuran-2(5H)-one
SpectraBase Compound ID 3vruT7lU4oS
InChI InChI=1S/C15H13ClO2/c1-10(2)15-12(9-14(17)18-15)6-3-11-4-7-13(16)8-5-11/h4-5,7-10,15H,1-2H3
InChIKey BJRIJRCUWFSTMF-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 JJrw6aXt3kc
Name 4-((4-Chlorophenyl)ethynyl)-5-isopropylfuran-2(5H)-one
Appearance Orange 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)6-3-11-4-7-13(16)8-5-11/h4-5,7-10,15H,1-2H3
InChIKey BJRIJRCUWFSTMF-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)=CC=C(C=C1)C#CC1=CC(OC1C(C)C)=O
SPLASH splash10-03di-0490000000-7b990f929c388761f702
Source of Spectrum QE-25-SM23-3e (DOI: 10.1002/chem.201902213)
Thin-Layer Chromatography 0.21 (PE/EA, 20:1)
Wiley ID 1893866