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3-bromo-4-((4-chlorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
SpectraBase Compound ID 4AFyZNStDNY
InChI InChI=1S/C18H10BrClO3/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 BNWZHAHAXJZBME-UHFFFAOYSA-N
Mol Weight 389.63 g/mol
Molecular Formula C18H10BrClO3
Exact Mass 387.950185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8X41biqgLiW
Name 3-bromo-4-((4-chlorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10BrClO3
InChI InChI=1S/C18H10BrClO3/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 BNWZHAHAXJZBME-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 389.632 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)Cl)Br)=O
SPLASH splash10-014u-7869000000-00afcf4a4a77fa6cc370
Source of Spectrum AJO-10-SM84-3.9
Wiley ID 1866392