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3-BROMOPHENYLETHYNE
SpectraBase Compound ID AIWQlulCOHP
InChI InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey TZDXNFAAJNEYIO-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 GQUJqLiimnD
Name 3-Bromophenylacetylene
Alternate Name(s) 1-Bromanyl-3-ethynyl-benzene 1-Bromo-3-ethynyl-benzene
CAS Registry Number 766-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5Br
InChI InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey TZDXNFAAJNEYIO-UHFFFAOYSA-N
Molecular Weight 181.032 g/mol
SMILES C(#C)c1cc(Br)ccc1
SPLASH splash10-0f89-3900000000-178a26d5182c9112e3a9
Source of Spectrum K-125-919-0
Wiley ID 1175811