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1-Bromo-3,4-dimethoxy-2-(oct-1-ynyl)benzene
SpectraBase Compound ID AJqVbvoHlv1
InChI InChI=1S/C16H21BrO2/c1-4-5-6-7-8-9-10-13-14(17)11-12-15(18-2)16(13)19-3/h11-12H,4-8H2,1-3H3
InChIKey WECKWRZZTDWCQL-UHFFFAOYSA-N
Mol Weight 325.25 g/mol
Molecular Formula C16H21BrO2
Exact Mass 324.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9F3E7JZPBWl
Name 1-Bromo-3,4-dimethoxy-2-(oct-1-ynyl)benzene
Appearance Pale brown oil
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Formula C16H21BrO2
InChI InChI=1S/C16H21BrO2/c1-4-5-6-7-8-9-10-13-14(17)11-12-15(18-2)16(13)19-3/h11-12H,4-8H2,1-3H3
InChIKey WECKWRZZTDWCQL-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.146
Molecular Weight 325.246 g/mol
Reported Formula C16H21BrO2
SMILES c1(OC)ccc(Br)c(C#CCCCCCC)c1OC
SPLASH splash10-004i-0769000000-036f8c08bf42f687eb53
Source of Spectrum BJO-7-SM8-5c
Thin-Layer Chromatography Rf = 0.57 (hexane/EtOAc, 7:1)
Wiley ID 1867096