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

View entire compound with spectra: 1 MS (GC)

3-Methyl-2-benzylthio-5-(4-methoxyphenyl)-1,3,4-thiadiazolium perchorate
SpectraBase Compound ID GT3fE1FW4yg
InChI InChI=1S/C17H17N2OS2.ClHO4/c1-19-17(21-12-13-6-4-3-5-7-13)22-16(18-19)14-8-10-15(20-2)11-9-14;2-1(3,4)5/h3-11H,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZACPXJZSFQLNEU-UHFFFAOYSA-M
Mol Weight 428.91 g/mol
Molecular Formula C17H17ClN2O5S2
Exact Mass 428.026742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzBfEiHSbUx
Name 3-Methyl-2-benzylthio-5-(4-methoxyphenyl)-1,3,4-thiadiazolium perchorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClN2O5S2
InChI InChI=1S/C17H17N2OS2.ClHO4/c1-19-17(21-12-13-6-4-3-5-7-13)22-16(18-19)14-8-10-15(20-2)11-9-14;2-1(3,4)5/h3-11H,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZACPXJZSFQLNEU-UHFFFAOYSA-M
Molecular Weight 428.905 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1([n+](nc(s1)-c1ccc(OC)cc1)C)SCc1ccccc1
SPLASH splash10-001r-4950000000-f1afa731a345d1450cf3
Source of Spectrum SO-0-692-4
Wiley ID 1540185