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3-(3,4-dichlorophenacyl)-2-{[(dimethylamino)methylene]amino}-5-methyl-1,3,4-thiadiazolium bromide

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(3,4-dichlorophenacyl)-2-{[(dimethylamino)methylene]amino}-5-methyl-1,3,4-thiadiazolium bromide
SpectraBase Compound ID 2mIssNqjTxK
InChI InChI=1S/C14H15Cl2N4OS.BrH/c1-9-18-20(14(22-9)17-8-19(2)3)7-13(21)10-4-5-11(15)12(16)6-10;/h4-6,8H,7H2,1-3H3;1H/q+1;/p-1
InChIKey RBQWFCZPZSZXPC-UHFFFAOYSA-M
Mol Weight 438.171 g/mol
Molecular Formula C14H15BrCl2N4OS
Exact Mass 435.952701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsYZ9SqBJ3Z
Name 3-(3,4-DICHLOROPHENACYL)-2-{[(DIMETHYLAMINO)METHYLENE]AMINO}-5-METHYL-1,3,4-THIADIAZOLIUM BROMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrCl2N4OS
InChI InChI=1S/C14H15Cl2N4OS.BrH/c1-9-18-20(14(22-9)17-8-19(2)3)7-13(21)10-4-5-11(15)12(16)6-10;/h4-6,8H,7H2,1-3H3;1H/q+1;/p-1
InChIKey RBQWFCZPZSZXPC-UHFFFAOYSA-M
Instrument Name BRUKER AC-300
Molecular Weight 438.171 g/mol
Solvent DMSO-d6; Reference=TMS; Temperature 297K