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5-(TERT.-BUTYLAMINO)-4-(DIMETHYLAMINO)-3-[(ETHOXYCARBONYL)-METHYL]-2-(PHENYLTHIO)-THIAZOLIUM-CHLORIDE
SpectraBase Compound ID GGqC0vHRqWu
InChI InChI=1S/C19H28N3O2S2.ClH/c1-7-24-15(23)13-22-17(21(5)6)16(20-19(2,3)4)26-18(22)25-14-11-9-8-10-12-14;/h8-12,20H,7,13H2,1-6H3;1H/q+1;/p-1
InChIKey WNGGXLDGWHNCAF-UHFFFAOYSA-M
Mol Weight 430.03 g/mol
Molecular Formula C19H28ClN3O2S2
Exact Mass 429.131147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28QoizDdklg
Name 4-(Dimethylamino)-5-(tert-butylamino)-3-[(ethoxycarbonyl)methyl]-2-(phenylthio)thiazolium chloride
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Formula C19H28ClN3O2S2
InChI InChI=1S/C19H28N3O2S2.ClH/c1-7-24-15(23)13-22-17(21(5)6)16(20-19(2,3)4)26-18(22)25-14-11-9-8-10-12-14;/h8-12,20H,7,13H2,1-6H3;1H/q+1;/p-1
InChIKey WNGGXLDGWHNCAF-UHFFFAOYSA-M
Molecular Weight 430.025 g/mol
SMILES [Cl-].N(c1c([n+](c(s1)Sc1ccccc1)CC(=O)OCC)N(C)C)C(C)(C)C
SPLASH splash10-066r-0980000000-63ce5cbe7d6ff8e38c03
Source of Spectrum J-58-6027-6
Synonyms 5-(tert-butylamino)-4-(dimethylamino)-3-(2-ethoxy-2-oxoethyl)-2-(phenylsulfanyl)-1,3-thiazol-3-ium chloride
Wiley ID 1381118