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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YKNRV5S52X
Name 5-(BENZYLAMINO)-3-[(DIETHOXYPHOSPHORYL)-METHYL]-4-(DIMETHYLAMINO)-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author F.BERREE,Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,58,6022(1993)
Literature Reference DOI 10.1021/jo00074a032
Molecular Weight 465.993 g/mol
Solvent CDCl3
Source File Reference UWSP10193