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2-Phenyl-4-[2H2]phenyl-2H-1,2,3,5-thiatriazol-1-ium chloride
SpectraBase Compound ID CvHOVm7bwdY
InChI InChI=1S/C13H10N3S.ClH/c1-3-7-11(8-4-1)13-14-16(17-15-13)12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1/i1D,3D,4D,7D,8D;
InChIKey QNOFUUBDZSSYQY-VTEWAWCOSA-M
Mol Weight 280.79 g/mol
Molecular Formula C13H5D5ClN3S
Exact Mass 280.05978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmnPQiOpmZl
Name 2-Phenyl-4-[2H2]phenyl-2H-1,2,3,5-thiatriazol-1-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5D5ClN3S
InChI InChI=1S/C13H10N3S.ClH/c1-3-7-11(8-4-1)13-14-16(17-15-13)12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1/i1D,3D,4D,7D,8D;
InChIKey QNOFUUBDZSSYQY-VTEWAWCOSA-M
Molecular Weight 280.788 g/mol
SMILES [Cl-].c1(n[n](-c2ccccc2)[s+]n1)-c1c(c([D])c(c(c1[D])[D])[D])[D]
SPLASH splash10-0a6r-6910000000-3cc2e7ca3279e4ad1341
Source of Spectrum KC-0-1624-6
Wiley ID 820547