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5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide

View entire compound with spectra: 2 NMR, and 1 FTIR

5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide
SpectraBase Compound ID 9qUXKqonQrL
InChI InChI=1S/C16H16N3S.HI/c1-13-18(14-9-5-3-6-10-14)16(20-2)17-19(13)15-11-7-4-8-12-15;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey DYIKGUMVIOCUSG-UHFFFAOYSA-M
Mol Weight 409.29 g/mol
Molecular Formula C16H16IN3S
Exact Mass 409.010964 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HJMPCERNdfl
Name 5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide
Source of Sample Aldrich
Catalog Number 383635
CAS Registry Number 38054-60-3
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16IN3S
InChI InChI=1S/C16H16N3S.HI/c1-13-18(14-9-5-3-6-10-14)16(20-2)17-19(13)15-11-7-4-8-12-15;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey DYIKGUMVIOCUSG-UHFFFAOYSA-M
Purity 98%
Wiley ID SIAL_ATR-IR_017935