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3-bromo-7-methoxy-4-(p-tolylethynyl)-2H-chromen-2-one
SpectraBase Compound ID 4YkVyAYQVZR
InChI InChI=1S/C19H13BrO3/c1-12-3-5-13(6-4-12)7-9-16-15-10-8-14(22-2)11-17(15)23-19(21)18(16)20/h3-6,8,10-11H,1-2H3
InChIKey RXYOOGKITXXCJT-UHFFFAOYSA-N
Mol Weight 369.21 g/mol
Molecular Formula C19H13BrO3
Exact Mass 368.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aYrBkkszI
Name 3-bromo-7-methoxy-4-(p-tolylethynyl)-2H-chromen-2-one
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13BrO3
InChI InChI=1S/C19H13BrO3/c1-12-3-5-13(6-4-12)7-9-16-15-10-8-14(22-2)11-17(15)23-19(21)18(16)20/h3-6,8,10-11H,1-2H3
InChIKey RXYOOGKITXXCJT-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 369.214 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)C)Br)=O
SPLASH splash10-014i-5958000000-e98abf229e01c0e655f1
Source of Spectrum AJO-10-SM82-3.5
Wiley ID 1866388