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3-Bromo-5-(7-chloroquinolin-4-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID Bi0ZsEpmGnV
InChI InChI=1S/C13H5BrClN3S/c14-13-10(6-16)12(19-18-13)9-3-4-17-11-5-7(15)1-2-8(9)11/h1-5H
InChIKey XIODRGXIZOXSTC-UHFFFAOYSA-N
Mol Weight 350.62 g/mol
Molecular Formula C13H5BrClN3S
Exact Mass 348.907609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDdq0dDvsrD
Name 3-Bromo-5-(7-chloroquinolin-4-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5BrClN3S
InChI InChI=1S/C13H5BrClN3S/c14-13-10(6-16)12(19-18-13)9-3-4-17-11-5-7(15)1-2-8(9)11/h1-5H
InChIKey XIODRGXIZOXSTC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 350.621 g/mol
SMILES c1(c(nsc1-c1ccnc2c1ccc(c2)Cl)Br)C#N
SPLASH splash10-0udj-2169000000-51e2e50d05abf5c89eb8
Source of Spectrum A1-13-1510/SM15-2w
Wiley ID 1752968