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3-Bromo-5-(pyridin-2-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID KXZE7YG80WF
InChI InChI=1S/C9H4BrN3S/c10-9-6(5-11)8(14-13-9)7-3-1-2-4-12-7/h1-4H
InChIKey BGPGFQSPVXKRJL-UHFFFAOYSA-N
Mol Weight 266.12 g/mol
Molecular Formula C9H4BrN3S
Exact Mass 264.930931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEcBBclfLwv
Name 3-Bromo-5-(pyridin-2-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4BrN3S
InChI InChI=1S/C9H4BrN3S/c10-9-6(5-11)8(14-13-9)7-3-1-2-4-12-7/h1-4H
InChIKey BGPGFQSPVXKRJL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 266.116 g/mol
SMILES c1(C#N)c(Br)nsc1-c1ccccn1
SPLASH splash10-004r-9320000000-0f1eed864ab4adc497c9
Source of Spectrum A1-13-1510/SM10-2l
Wiley ID 1752960