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3-Bromo-5-(2-chloropyridin-4-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID GNW0xtytbaZ
InChI InChI=1S/C9H3BrClN3S/c10-9-6(4-12)8(15-14-9)5-1-2-13-7(11)3-5/h1-3H
InChIKey DWLRJPQDZYHLAR-UHFFFAOYSA-N
Mol Weight 300.56 g/mol
Molecular Formula C9H3BrClN3S
Exact Mass 298.891959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNjr4Qvu7j1
Name 3-Bromo-5-(2-chloropyridin-4-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3BrClN3S
InChI InChI=1S/C9H3BrClN3S/c10-9-6(4-12)8(15-14-9)5-1-2-13-7(11)3-5/h1-3H
InChIKey DWLRJPQDZYHLAR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 300.561 g/mol
SMILES c1(c(Br)nsc1-c1ccnc(c1)Cl)C#N
SPLASH splash10-0udj-3397000000-4ed7288d34632b8760d8
Source of Spectrum A1-13-1510/SM14-2u
Wiley ID 1752967