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1-Bromo-3-(phenylethynyl)benzene
SpectraBase Compound ID jBWmXckVA5
InChI InChI=1S/C14H9Br/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey UGDPONBROAZMEJ-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 IRKh0U95w0h
Name 1-bromo-3-(p-tolylethynyl)benzene
Appearance Oil liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.988763290 u
Formula C14H9Br
InChI InChI=1S/C14H9Br/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey UGDPONBROAZMEJ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 257.130 g/mol
Quality 329
SMILES C1=CC(C#CC=2C=CC=C(C2)Br)=CC=C1
SPLASH splash10-0a4i-0590000000-f1361a26df6e73dd6526
Source of Spectrum K1-2022-SM48-Table 3, entry 14 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898461