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4-((3-Bromothiophen-2-yl)ethynyl)benzonitrile
SpectraBase Compound ID EsuJ0MyhrGS
InChI InChI=1S/C13H6BrNS/c14-12-7-8-16-13(12)6-5-10-1-3-11(9-15)4-2-10/h1-4,7-8H
InChIKey IUMZJMDDRVFVAT-UHFFFAOYSA-N
Mol Weight 288.16 g/mol
Molecular Formula C13H6BrNS
Exact Mass 286.940433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYnor57Mvm6
Name 4-((3-Bromothiophen-2-yl)ethynyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6BrNS
InChI InChI=1S/C13H6BrNS/c14-12-7-8-16-13(12)6-5-10-1-3-11(9-15)4-2-10/h1-4,7-8H
InChIKey IUMZJMDDRVFVAT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2016093
Molecular Weight 288.162 g/mol
SMILES c1(sccc1Br)C#Cc1ccc(cc1)C#N
SPLASH splash10-000i-0190000000-e382b06e37d24a5e0d47
Source of Spectrum A1-13-4100/SMS16-6c
Wiley ID 1753629