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1,3,4-Thiadiazolium, 5-mercapto-2-(4-methoxyphenyl)-3-phenyl-, hydroxide, inner salt
SpectraBase Compound ID 6HJXni42ltH
InChI InChI=1S/C15H12N2OS2/c1-18-13-9-7-11(8-10-13)14-17(16-15(19)20-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ANPINPKSOFIZAT-UHFFFAOYSA-N
Mol Weight 300.39 g/mol
Molecular Formula C15H12N2OS2
Exact Mass 300.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B30SU7ETzhP
Name 1,3,4-Thiadiazolium, 5-mercapto-2-(4-methoxyphenyl)-3-phenyl-, hydroxide, inner salt
Alternate Name(s) 2-(4-Methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium-5-ylsulfide 1,3,4-Thiadiazolidine-2-thione, 5-(p-methoxyphenyl)-4-phenyl-, meso-ionic didehydro deriv. 2-(4-Methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium-5-thiolate Anhydro-5-mercapto-3-phenyl-2-p-methoxyphenyl-1,3,4-thiadiazolium hydroxide
CAS Registry Number 34009-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2OS2
InChI InChI=1S/C15H12N2OS2/c1-18-13-9-7-11(8-10-13)14-17(16-15(19)20-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ANPINPKSOFIZAT-UHFFFAOYSA-N
Molecular Weight 300.394 g/mol
SMILES COc1ccc(cc1)-c1[n+](-c2ccccc2)nc([S-])s1
SPLASH splash10-0imi-4591000000-b61b2ad7f187e265af61
Source of Spectrum O-7-210-7
Wiley ID 1302592