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5-(BENZYLAMINO)-3-[(DIETHOXYPHOSPHORYL)-METHYL]-4-(DIMETHYLAMINO)-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
SpectraBase Compound ID IjOQ7ASu5sb
InChI InChI=1S/C18H29N3O3PS2.ClH/c1-6-23-25(22,24-7-2)14-21-17(20(3)4)16(27-18(21)26-5)19-13-15-11-9-8-10-12-15;/h8-12,19H,6-7,13-14H2,1-5H3;1H/q+1;/p-1
InChIKey BJUSTFFWNKANDD-UHFFFAOYSA-M
Mol Weight 465.99 g/mol
Molecular Formula C18H29ClN3O3PS2
Exact Mass 465.107649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEnk4ABHrk6
Name 5-(Benzylamino)-4-(dimethylamino)-3-[(diethoxyphosphoryl)methyl]-2-(methylthio)thiazolium chloride
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Formula C18H29ClN3O3PS2
InChI InChI=1S/C18H29N3O3PS2.ClH/c1-6-23-25(22,24-7-2)14-21-17(20(3)4)16(27-18(21)26-5)19-13-15-11-9-8-10-12-15;/h8-12,19H,6-7,13-14H2,1-5H3;1H/q+1;/p-1
InChIKey BJUSTFFWNKANDD-UHFFFAOYSA-M
Molecular Weight 465.995 g/mol
SMILES [Cl-].N(c1c([n+](c(s1)SC)CP(=O)(OCC)OCC)N(C)C)Cc1ccccc1
SPLASH splash10-01p5-9300000000-cdde151bb93e923ba7d1
Source of Spectrum J-58-6027-6h
Wiley ID 1391378