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3-Bromo-5-(pyridin-4-yl)isothiazole-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

3-Bromo-5-(pyridin-4-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID 3eopRFjvHYk
InChI InChI=1S/C9H4BrN3S/c10-9-7(5-11)8(14-13-9)6-1-3-12-4-2-6/h1-4H
InChIKey MEOFNYQDPYKINV-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 CwulAwWP2Y9
Name 3-Bromo-5-(pyridin-4-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4BrN3S
InChI InChI=1S/C9H4BrN3S/c10-9-7(5-11)8(14-13-9)6-1-3-12-4-2-6/h1-4H
InChIKey MEOFNYQDPYKINV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 266.116 g/mol
SMILES c1(C#N)c(Br)nsc1-c1ccncc1
SPLASH splash10-0gbi-9860000000-914a0f6f0f8e59d1b493
Source of Spectrum A1-13-1510/SM11-2n
Wiley ID 1752962