![3-(3,4-dichlorophenacyl)-2-{[(dimethylamino)methylene]amino}-5-methyl-1,3,4-thiadiazolium bromide](/api/spectrum/BMb2b5SEq8U/structure.png?h=300&w=458 "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) Chemical Shifts
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| SpectraBase Spectrum ID | BMb2b5SEq8U |
|---|---|
| Name | 3-(3,4-dichlorophenacyl)-2-{[(dimethylamino)methylene]amino}-5-methyl-1,3,4-thiadiazolium bromide |
| Copyright | Copyright © 2009-2024 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 | Varian CFT-20 |
| Sadtler NMR Number | 60977M |
| Solvent | DMSO-d6 |