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(E)-1-Bromo-2-(phenylethynyl)-4-methylbenzene
SpectraBase Compound ID 2mi4cc5EQDy
InChI InChI=1S/C15H13Br/c1-12-7-10-15(16)14(11-12)9-8-13-5-3-2-4-6-13/h2-11H,1H3/b9-8+
InChIKey DMCKWWSOCWTGIL-CMDGGOBGSA-N
Mol Weight 273.17 g/mol
Molecular Formula C15H13Br
Exact Mass 272.020063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKtyfip7jHg
Name (E)-1-Bromo-2-(phenylethynyl)-4-methylbenzene
Alternate Name(s) 1-Bromo-4-methyl-2-((E)-styryl)-benzene
Comments Less than 3 mono-isotopic peaks
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Formula C15H13Br
InChI InChI=1S/C15H13Br/c1-12-7-10-15(16)14(11-12)9-8-13-5-3-2-4-6-13/h2-11H,1H3/b9-8+
InChIKey DMCKWWSOCWTGIL-CMDGGOBGSA-N
Molecular Weight 273.173 g/mol
SMILES c1(\C=C\c2ccccc2)c(ccc(c1)C)Br
SPLASH splash10-00b9-0890000000-9898e7cbf3621afa81c1
Source of Spectrum F-56-861-23
Wiley ID 855784