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4-((4-fluorophenyl)ethynyl)-7-methyl-2H-chromen-2-one
SpectraBase Compound ID IalASlXSbgw
InChI InChI=1S/C18H11FO2/c1-12-2-9-16-14(11-18(20)21-17(16)10-12)6-3-13-4-7-15(19)8-5-13/h2,4-5,7-11H,1H3
InChIKey MPJRBFFEAUSDAG-UHFFFAOYSA-N
Mol Weight 278.28 g/mol
Molecular Formula C18H11FO2
Exact Mass 278.074308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QnVR2McZdL
Name 4-((4-fluorophenyl)ethynyl)-7-methyl-2H-chromen-2-one
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11FO2
InChI InChI=1S/C18H11FO2/c1-12-2-9-16-14(11-18(20)21-17(16)10-12)6-3-13-4-7-15(19)8-5-13/h2,4-5,7-11H,1H3
InChIKey MPJRBFFEAUSDAG-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 278.282 g/mol
SMILES Cc1ccc2c(c1)OC(C=C2C#Cc1ccc(cc1)F)=O
SPLASH splash10-0fi0-1190000000-9149a856fd0f1c1a7634
Source of Spectrum AJO-10-SM79-2.19
Wiley ID 1866375