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3-bromo-7-methyl-4-(p-tolylethynyl)-2H-chromen-2-one
SpectraBase Compound ID KBAF6rjPazl
InChI InChI=1S/C19H13BrO2/c1-12-3-6-14(7-4-12)8-10-16-15-9-5-13(2)11-17(15)22-19(21)18(16)20/h3-7,9,11H,1-2H3
InChIKey VLJULKGLQFARDO-UHFFFAOYSA-N
Mol Weight 353.22 g/mol
Molecular Formula C19H13BrO2
Exact Mass 352.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HbzzmsZyzr
Name 3-bromo-7-methyl-4-(p-tolylethynyl)-2H-chromen-2-one
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13BrO2
InChI InChI=1S/C19H13BrO2/c1-12-3-6-14(7-4-12)8-10-16-15-9-5-13(2)11-17(15)22-19(21)18(16)20/h3-7,9,11H,1-2H3
InChIKey VLJULKGLQFARDO-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 353.215 g/mol
SMILES Cc1ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)C)Br)=O
SPLASH splash10-0uxr-5597000000-a3d760100f5619eab30b
Source of Spectrum AJO-10-SM86-3.13
Wiley ID 1866384