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1-Bromo-4-ethynylbenzene

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 3 MS (GC)

1-Bromo-4-ethynylbenzene
SpectraBase Compound ID AYQ6CpMJcGf
InChI InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey LTLVZQZDXQWLHU-UHFFFAOYSA-N
Mol Weight 181.03 g/mol
Molecular Formula C8H5Br
Exact Mass 179.957463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxUhrqWWIgo
Name Benzene, 1-bromo-4-ethynyl-
CAS Registry Number 766-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5Br
InChI InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey LTLVZQZDXQWLHU-UHFFFAOYSA-N
Molecular Weight 181.032 g/mol
SMILES C(#C)c1ccc(cc1)Br
SPLASH splash10-001i-1900000000-d4cd7c7a566e6bac53df
Source of Spectrum KC-61-4051-4
Synonyms 1-Bromanyl-4-ethynyl-benzene 1-Bromo-4-ethynyl-benzene 4-Bromo-1-ethynylbenzene
Wiley ID 1628731