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1-Bromo-4-(phenylethynyl)benzene
SpectraBase Compound ID 4j6qJTGJB8C
InChI InChI=1S/C14H9Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKey XLHCHVUFUPJPEO-UHFFFAOYSA-N
Mol Weight 257.13 g/mol
Molecular Formula C14H9Br
Exact Mass 255.988763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Eh50h8B2e
Name 1-bromo-4-(phenylethynyl)benzene
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.988763290 u
Formula C14H9Br
InChI InChI=1S/C14H9Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKey XLHCHVUFUPJPEO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 257.130 g/mol
Quality 240
SMILES C1=CC(C#CC=2C=CC(=CC2)Br)=CC=C1
SPLASH splash10-0a4i-0490000000-b620625c60f400a68461
Source of Spectrum K1-2022-SM41-Table 3, entry 9 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898475