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3-Bromo-5-(2,4-dimethoxyphenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID KnbiyrjwmfL
InChI InChI=1S/C12H9BrN2O2S/c1-16-7-3-4-8(10(5-7)17-2)11-9(6-14)12(13)15-18-11/h3-5H,1-2H3
InChIKey XHYLTENLXKLQTN-UHFFFAOYSA-N
Mol Weight 325.18 g/mol
Molecular Formula C12H9BrN2O2S
Exact Mass 323.956812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NkMQuLbnMc
Name 3-Bromo-5-(2,4-dimethoxyphenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrN2O2S
InChI InChI=1S/C12H9BrN2O2S/c1-16-7-3-4-8(10(5-7)17-2)11-9(6-14)12(13)15-18-11/h3-5H,1-2H3
InChIKey XHYLTENLXKLQTN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 325.180 g/mol
SMILES c1(c(nsc1-c1ccc(cc1OC)OC)Br)C#N
SPLASH splash10-00b9-2269000000-1c996e94536125e49d12
Source of Spectrum A1-13-1510/SM7-2f
Wiley ID 1752954