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Mesoionic 2,4-Diphenyl-3-methyl-1,3-thiazolium-5-thioate
SpectraBase Compound ID GZQKhVWDnFj
InChI InChI=1S/C16H13NS2/c1-17-14(12-8-4-2-5-9-12)16(18)19-15(17)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey XZQWGQGBFPZZFU-UHFFFAOYSA-N
Mol Weight 283.41 g/mol
Molecular Formula C16H13NS2
Exact Mass 283.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uoOaMQiusW
Name Mesoionic 2,4-Diphenyl-3-methyl-1,3-thiazolium-5-thioate
Alternate Name(s) 3-Methyl-2,4-diphenyl-5-thiazol-3-iumthiolate 3-Methyl-2,4-diphenyl-1,3-thiazol-3-ium-5-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NS2
InChI InChI=1S/C16H13NS2/c1-17-14(12-8-4-2-5-9-12)16(18)19-15(17)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey XZQWGQGBFPZZFU-UHFFFAOYSA-N
Molecular Weight 283.407 g/mol
SMILES c1([n+](c(c(s1)[S-])-c1ccccc1)C)-c1ccccc1
SPLASH splash10-00m0-5790000000-99a0889fd43e563a2cb1
Source of Spectrum CV-2003-690-2
Wiley ID 1610922