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4-(2-Benzothiazolyl)-1-phenyl-1.3-butadiyne
SpectraBase Compound ID 6gFLECDyBEZ
InChI InChI=1S/C17H9NS/c1-2-8-14(9-3-1)10-4-7-13-17-18-15-11-5-6-12-16(15)19-17/h1-3,5-6,8-9,11-12H
InChIKey DCEOVBHTMRHKNE-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C17H9NS
Exact Mass 259.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxccXF4QCoP
Name 4-(2-Benzothiazolyl)-1-phenyl-1.3-butadiyne
Alternate Name(s) 2-(4-phenyl-1,3-butadiynyl)-1,3-benzothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9NS
InChI InChI=1S/C17H9NS/c1-2-8-14(9-3-1)10-4-7-13-17-18-15-11-5-6-12-16(15)19-17/h1-3,5-6,8-9,11-12H
InChIKey DCEOVBHTMRHKNE-UHFFFAOYSA-N
Molecular Weight 259.326 g/mol
SMILES c1(nc2c(s1)cccc2)C#CC#Cc1ccccc1
SPLASH splash10-0a4i-0090000000-9368b3e71d77e0d8f2bb
Source of Spectrum SO-0-376-4
Wiley ID 1539937