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3-Bromo-5-(2-nitrophenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID 7IUxsArYywS
InChI InChI=1S/C10H4BrN3O2S/c11-10-7(5-12)9(17-13-10)6-3-1-2-4-8(6)14(15)16/h1-4H
InChIKey SWORPSCAYQYTQZ-UHFFFAOYSA-N
Mol Weight 310.13 g/mol
Molecular Formula C10H4BrN3O2S
Exact Mass 308.920761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vGupFL62ht
Name 3-Bromo-5-(2-nitrophenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H4BrN3O2S
InChI InChI=1S/C10H4BrN3O2S/c11-10-7(5-12)9(17-13-10)6-3-1-2-4-8(6)14(15)16/h1-4H
InChIKey SWORPSCAYQYTQZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 310.125 g/mol
SMILES c1(c(nsc1-c1ccccc1[N+](=O)[O-])Br)C#N
SPLASH splash10-0f89-1901000000-af4f0d4915a5b264cb80
Source of Spectrum A1-13-1510/SM8-2h
Wiley ID 1752956