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3-bromo-4-((4-methoxyphenyl)ethynyl)-7-methyl-2H-chromen-2-one
SpectraBase Compound ID HG2nSt5E5LM
InChI InChI=1S/C19H13BrO3/c1-12-3-9-15-16(18(20)19(21)23-17(15)11-12)10-6-13-4-7-14(22-2)8-5-13/h3-5,7-9,11H,1-2H3
InChIKey OODHADZCYSINCM-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 7lUkKBojAM5
Name 3-bromo-4-((4-methoxyphenyl)ethynyl)-7-methyl-2H-chromen-2-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13BrO3
InChI InChI=1S/C19H13BrO3/c1-12-3-9-15-16(18(20)19(21)23-17(15)11-12)10-6-13-4-7-14(22-2)8-5-13/h3-5,7-9,11H,1-2H3
InChIKey OODHADZCYSINCM-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 Cc1ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)OC)Br)=O
SPLASH splash10-014i-2449000000-4e601192c4a40a8f8d8e
Source of Spectrum AJO-10-SM85-3.11
Wiley ID 1866383