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3-bromo-7-methyl-4-(phenylethynyl)-2H-chromen-2-one
SpectraBase Compound ID 6RplgGY0h5K
InChI InChI=1S/C18H11BrO2/c1-12-7-9-14-15(10-8-13-5-3-2-4-6-13)17(19)18(20)21-16(14)11-12/h2-7,9,11H,1H3
InChIKey ZXHSUWKROGJRGX-UHFFFAOYSA-N
Mol Weight 339.19 g/mol
Molecular Formula C18H11BrO2
Exact Mass 337.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2TFJy57oZ6
Name 3-bromo-7-methyl-4-(phenylethynyl)-2H-chromen-2-one
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11BrO2
InChI InChI=1S/C18H11BrO2/c1-12-7-9-14-15(10-8-13-5-3-2-4-6-13)17(19)18(20)21-16(14)11-12/h2-7,9,11H,1H3
InChIKey ZXHSUWKROGJRGX-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 339.188 g/mol
SMILES Cc1ccc2c(c1)OC(C(=C2C#Cc1ccccc1)Br)=O
SPLASH splash10-0udr-4589000000-62fbbe0855f18e8eeef5
Source of Spectrum AJO-10-SM87-3.14
Wiley ID 1866385