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2-(thiophen-2-ylethynyl)isonicotinonitrile
SpectraBase Compound ID 84A4rfOwZvx
InChI InChI=1S/C12H6N2S/c13-9-10-5-6-14-11(8-10)3-4-12-2-1-7-15-12/h1-2,5-8H
InChIKey NMCPQNYBFVSAMV-UHFFFAOYSA-N
Mol Weight 210.25 g/mol
Molecular Formula C12H6N2S
Exact Mass 210.025169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBjE2Fh65Tq
Name 2-(thiophen-2-ylethynyl)isonicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6N2S
InChI InChI=1S/C12H6N2S/c13-9-10-5-6-14-11(8-10)3-4-12-2-1-7-15-12/h1-2,5-8H
InChIKey NMCPQNYBFVSAMV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201400750
Molecular Weight 210.254 g/mol
SMILES c1c(cc(nc1)C#Cc1sccc1)C#N
SPLASH splash10-03di-0290000000-c5a574be9b338584a864
Source of Spectrum ACI-53-SMS10-7l
Wiley ID 1782382