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3-Methyl-2-benzylthio-5-phenyl-1,3,4-thiadiazolium perchorate

View entire compound with spectra: 1 MS (GC)

3-Methyl-2-benzylthio-5-phenyl-1,3,4-thiadiazolium perchorate
SpectraBase Compound ID HqQ1DVzVl9A
InChI InChI=1S/C16H15N2S2.ClHO4/c1-18-16(19-12-13-8-4-2-5-9-13)20-15(17-18)14-10-6-3-7-11-14;2-1(3,4)5/h2-11H,12H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QWVAVNNLRCCRDP-UHFFFAOYSA-M
Mol Weight 398.88 g/mol
Molecular Formula C16H15ClN2O4S2
Exact Mass 398.016177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19kHglSxTFs
Name 3-Methyl-2-benzylthio-5-phenyl-1,3,4-thiadiazolium perchorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN2O4S2
InChI InChI=1S/C16H15N2S2.ClHO4/c1-18-16(19-12-13-8-4-2-5-9-13)20-15(17-18)14-10-6-3-7-11-14;2-1(3,4)5/h2-11H,12H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QWVAVNNLRCCRDP-UHFFFAOYSA-M
Molecular Weight 398.879 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1([n+](nc(s1)-c1ccccc1)C)SCc1ccccc1
SPLASH splash10-0a4i-6790000000-22eeeaa7b56d9f3bd54e
Source of Spectrum SO-0-692-4
Wiley ID 1540187