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3-Methyl-2-benzylthio-5-(4-methylphenyl)-1,3,4-thiadiazolium perchorate

View entire compound with spectra: 1 MS (GC)

3-Methyl-2-benzylthio-5-(4-methylphenyl)-1,3,4-thiadiazolium perchorate
SpectraBase Compound ID 1XL4BxLjdzC
InChI InChI=1S/C17H17N2S2.ClHO4/c1-13-8-10-15(11-9-13)16-18-19(2)17(21-16)20-12-14-6-4-3-5-7-14;2-1(3,4)5/h3-11H,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey HDUXZKXKLQXTSC-UHFFFAOYSA-M
Mol Weight 412.91 g/mol
Molecular Formula C17H17ClN2O4S2
Exact Mass 412.031827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50u1qs3uTI
Name 3-Methyl-2-benzylthio-5-(4-methylphenyl)-1,3,4-thiadiazolium perchorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClN2O4S2
InChI InChI=1S/C17H17N2S2.ClHO4/c1-13-8-10-15(11-9-13)16-18-19(2)17(21-16)20-12-14-6-4-3-5-7-14;2-1(3,4)5/h3-11H,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey HDUXZKXKLQXTSC-UHFFFAOYSA-M
Molecular Weight 412.906 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1([n+](nc(s1)-c1ccc(C)cc1)C)SCc1ccccc1
SPLASH splash10-01dl-6940000000-480c93fcf27a1c6e451e
Source of Spectrum SO-0-692-4
Wiley ID 1540186