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2-{(3,4-Dimethoxyphenyl)ethynyl}benzothiazole
SpectraBase Compound ID KFgwJ5XSl1V
InChI InChI=1S/C17H13NO2S/c1-19-14-9-7-12(11-15(14)20-2)8-10-17-18-13-5-3-4-6-16(13)21-17/h3-7,9,11H,1-2H3
InChIKey UXGPLQSVYWJDOP-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C17H13NO2S
Exact Mass 295.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CO7YB4RmlXL
Name 2-{(3,4-Dimethoxyphenyl)ethynyl}benzothiazole
Alternate Name(s) 2-((3,4-Dimethoxyphenyl)ethynyl)benzo[d]thiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO2S
InChI InChI=1S/C17H13NO2S/c1-19-14-9-7-12(11-15(14)20-2)8-10-17-18-13-5-3-4-6-16(13)21-17/h3-7,9,11H,1-2H3
InChIKey UXGPLQSVYWJDOP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300514d
Molecular Weight 295.356 g/mol
SMILES c12sc(nc2cccc1)C#Cc1cc(OC)c(OC)cc1
SPLASH splash10-0002-0090000000-2e980c07299d8d320c74
Source of Spectrum A1-14-1824/SMS26-7d
Wiley ID 1750199