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FAfKcZi8AqX
spectrumID
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FAfKcZi8AqX
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Mass Spectrum (GC)
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1-n-Propyl-5-phenyl-2-methylmercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium iodide
SpectraBase Compound ID LCkd8IBw1BS
InChI InChI=1S/C19H19N4S.HI/c1-3-13-22-18-15-11-7-8-12-16(15)20-17(14-9-5-4-6-10-14)23(18)21-19(22)24-2;/h4-12H,3,13H2,1-2H3;1H/q+1;/p-1
InChIKey YXAGFVXZEOAUJC-UHFFFAOYSA-M
Mol Weight 462.35 g/mol
Molecular Formula C19H19IN4S
Exact Mass 462.037513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAfKcZi8AqX
Name 1-n-Propyl-5-phenyl-2-methylmercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium iodide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19IN4S
InChI InChI=1S/C19H19N4S.HI/c1-3-13-22-18-15-11-7-8-12-16(15)20-17(14-9-5-4-6-10-14)23(18)21-19(22)24-2;/h4-12H,3,13H2,1-2H3;1H/q+1;/p-1
InChIKey YXAGFVXZEOAUJC-UHFFFAOYSA-M
Molecular Weight 462.353 g/mol
SMILES [I-].c12[n+](nc([n]2CCC)SC)c(nc2ccccc12)-c1ccccc1
SPLASH splash10-002f-1950000000-dbe73ee91d08ebad0325
Source of Spectrum SO-0-883-5
Synonyms 2-(methylsulfanyl)-5-phenyl-1-propyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium iodide
Wiley ID 1538239