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3-bromo-4-((4-fluorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
SpectraBase Compound ID 6OFjqv6GCwb
InChI InChI=1S/C18H10BrFO3/c1-22-13-7-9-14-15(17(19)18(21)23-16(14)10-13)8-4-11-2-5-12(20)6-3-11/h2-3,5-7,9-10H,1H3
InChIKey HIKUUHMUIQZSMG-UHFFFAOYSA-N
Mol Weight 373.18 g/mol
Molecular Formula C18H10BrFO3
Exact Mass 371.979735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpFfm377DJV
Name 3-bromo-4-((4-fluorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10BrFO3
InChI InChI=1S/C18H10BrFO3/c1-22-13-7-9-14-15(17(19)18(21)23-16(14)10-13)8-4-11-2-5-12(20)6-3-11/h2-3,5-7,9-10H,1H3
InChIKey HIKUUHMUIQZSMG-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 373.177 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)F)Br)=O
SPLASH splash10-00xr-4947000000-417d255dd841d03b2d55
Source of Spectrum AJO-10-SM85-3.10
Wiley ID 1866382