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

View entire compound with spectra: 1 MS (GC)

3-Bromo-5-(4-hydroxyphenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID DMiLLOXGNvr
InChI InChI=1S/C10H5BrN2OS/c11-10-8(5-12)9(15-13-10)6-1-3-7(14)4-2-6/h1-4,14H
InChIKey QIPJLWKQPJFTHV-UHFFFAOYSA-N
Mol Weight 281.13 g/mol
Molecular Formula C10H5BrN2OS
Exact Mass 279.930597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FZ9P5ns36
Name 3-Bromo-5-(4-hydroxyphenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5BrN2OS
InChI InChI=1S/C10H5BrN2OS/c11-10-8(5-12)9(15-13-10)6-1-3-7(14)4-2-6/h1-4,14H
InChIKey QIPJLWKQPJFTHV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 281.127 g/mol
SMILES Oc1ccc(-c2snc(Br)c2C#N)cc1
SPLASH splash10-001i-1390000000-f89698a36e24f93727b6
Source of Spectrum A1-13-1510/SM7-2g
Wiley ID 1752955