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3-bromo-4-((3-methoxyphenyl)ethynyl)-7-methyl-2H-chromen-2-one
SpectraBase Compound ID 56Ch28Mn852
InChI InChI=1S/C19H13BrO3/c1-12-6-8-15-16(18(20)19(21)23-17(15)10-12)9-7-13-4-3-5-14(11-13)22-2/h3-6,8,10-11H,1-2H3
InChIKey GBUBIDTXLRNVSY-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 EFKwTBXrjUP
Name 3-bromo-4-((3-methoxyphenyl)ethynyl)-7-methyl-2H-chromen-2-one
Appearance Pale yellow solid
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Formula C19H13BrO3
InChI InChI=1S/C19H13BrO3/c1-12-6-8-15-16(18(20)19(21)23-17(15)10-12)9-7-13-4-3-5-14(11-13)22-2/h3-6,8,10-11H,1-2H3
InChIKey GBUBIDTXLRNVSY-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#Cc1cc(ccc1)OC)Br)=O
SPLASH splash10-014i-2559000000-9ec26a01848a8fe2f81c
Source of Spectrum AJO-10-SM87-3.15
Wiley ID 1866386