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1-Bromo-3,4-dimethoxy-2-(phenylethynyl)benzene
SpectraBase Compound ID ITRdGjEqsEZ
InChI InChI=1S/C16H13BrO2/c1-18-15-11-10-14(17)13(16(15)19-2)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKey MKJIMBVPDCWVAR-UHFFFAOYSA-N
Mol Weight 317.18 g/mol
Molecular Formula C16H13BrO2
Exact Mass 316.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CczZdSgViJu
Name 1-Bromo-3,4-dimethoxy-2-(phenylethynyl)benzene
Appearance Brown oil
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Formula C16H13BrO2
InChI InChI=1S/C16H13BrO2/c1-18-15-11-10-14(17)13(16(15)19-2)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKey MKJIMBVPDCWVAR-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.146
Molecular Weight 317.182 g/mol
Reported Formula C16H13BrO2
SMILES c1(OC)ccc(Br)c(C#Cc2ccccc2)c1OC
SPLASH splash10-014i-0509000000-87fb8d1240ae2aa86ee7
Source of Spectrum BJO-7-SM9-5d
Thin-Layer Chromatography Rf = 0.40 (hexane/EtOAc, 9:1)
Wiley ID 1867097