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3-Bromo-5-(3-bromophenyl)isothiazole-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

3-Bromo-5-(3-bromophenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID 4XG2bFGsvac
InChI InChI=1S/C10H4Br2N2S/c11-7-3-1-2-6(4-7)9-8(5-13)10(12)14-15-9/h1-4H
InChIKey HBXSGVCAFAQZGB-UHFFFAOYSA-N
Mol Weight 344.02 g/mol
Molecular Formula C10H4Br2N2S
Exact Mass 341.846195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QqXl4ouv7z
Name 3-Bromo-5-(3-bromophenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H4Br2N2S
InChI InChI=1S/C10H4Br2N2S/c11-7-3-1-2-6(4-7)9-8(5-13)10(12)14-15-9/h1-4H
InChIKey HBXSGVCAFAQZGB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 344.024 g/mol
SMILES c1(c(Br)nsc1-c1cccc(c1)Br)C#N
SPLASH splash10-000x-3629000000-393f84c653058167a785
Source of Spectrum A1-13-1510/SM14-2t
Wiley ID 1752966