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

View entire compound with spectra: 1 MS (GC)

3-Bromo-5-(4-methoxyphenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID CXQ9dbtpkmz
InChI InChI=1S/C11H7BrN2OS/c1-15-8-4-2-7(3-5-8)10-9(6-13)11(12)14-16-10/h2-5H,1H3
InChIKey HEWUMBXPKMFWGB-UHFFFAOYSA-N
Mol Weight 295.15 g/mol
Molecular Formula C11H7BrN2OS
Exact Mass 293.946247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZRd8FAq6im
Name 3-Bromo-5-(4-methoxyphenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7BrN2OS
InChI InChI=1S/C11H7BrN2OS/c1-15-8-4-2-7(3-5-8)10-9(6-13)11(12)14-16-10/h2-5H,1H3
InChIKey HEWUMBXPKMFWGB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 295.154 g/mol
SMILES c1(c(Br)nsc1-c1ccc(cc1)OC)C#N
SPLASH splash10-0005-0190000000-49aecc54f675e60b12e2
Source of Spectrum A1-13-1510/SM6-2e
Wiley ID 1752953