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5-[(BENZOTHIAZOL-2-YL)-(ETHOXYCARBONYL)-METHYLENE]-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
SpectraBase Compound ID 89ErYUr9bqs
InChI InChI=1S/C14H13N3O2S2/c1-3-19-14(18)12(11-8-17(2)16-21-11)13-15-9-6-4-5-7-10(9)20-13/h4-8H,3H2,1-2H3/b12-11+
InChIKey HCXMKCAPDCXGTK-VAWYXSNFSA-N
Mol Weight 319.4 g/mol
Molecular Formula C14H13N3O2S2
Exact Mass 319.044919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgvpBrlcTGs
Name 5-[(Benzoylthiazol-2-yl)(ethoxycarbonyl)methylene]-3-methyl-4,5-dihydro-1,2,3-thiadiazol-3-ium-4-ide
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Formula C14H13N3O2S2
InChI InChI=1S/C14H13N3O2S2/c1-3-19-14(18)12(11-8-17(2)16-21-11)13-15-9-6-4-5-7-10(9)20-13/h4-8H,3H2,1-2H3/b12-11+
InChIKey HCXMKCAPDCXGTK-VAWYXSNFSA-N
Molecular Weight 319.397 g/mol
SMILES c1(\C(=C\2SN=[N+]([CH-]2)C)C(=O)OCC)nc2ccccc2s1
SPLASH splash10-014l-9645000000-3e6e07e76b1bc9112d18
Source of Spectrum KC-0-2549-15
Wiley ID 782165