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4-Methyl-2-(2H5)phenyl-2H-1,2,3,5-thiatriazol-1-ium chloride

View entire compound with spectra: 2 MS (GC)

4-Methyl-2-(2H5)phenyl-2H-1,2,3,5-thiatriazol-1-ium chloride
SpectraBase Compound ID FlVJkji533A
InChI InChI=1S/C8H8N3S.ClH/c1-7-9-11(12-10-7)8-5-3-2-4-6-8;/h2-6H,1H3;1H/q+1;/p-1/i2D,3D,4D,5D,6D;
InChIKey AFRJTBLRMZYRPC-CERKJNTMSA-M
Mol Weight 218.72 g/mol
Molecular Formula C8H3D5ClN3S
Exact Mass 218.04413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mX6U4UHkxw
Name 4-Methyl-2-[2H5]phenyl-2H-1,2,3,5-thiatriazol-1-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3D5ClN3S
InChI InChI=1S/C8H8N3S.ClH/c1-7-9-11(12-10-7)8-5-3-2-4-6-8;/h2-6H,1H3;1H/q+1;/p-1/i2D,3D,4D,5D,6D;
InChIKey AFRJTBLRMZYRPC-CERKJNTMSA-M
Molecular Weight 218.717 g/mol
SMILES [Cl-].c1(n[s+][n](n1)-c1c(c([D])c(c(c1[D])[D])[D])[D])C
SPLASH splash10-001i-9500000000-2089621abae6a6137d2f
Source of Spectrum KC-0-1624-6b
Wiley ID 820549