| SpectraBase Compound ID | 7V4D0A5rM4t |
|---|---|
| InChI | InChI=1S/C7H12N3OS.HI/c1-5-6(11)9(2)7(12-4)8-10(5)3;/h1-4H3;1H/q+1;/p-1 |
| InChIKey | IGUHHHCEFLDAHP-UHFFFAOYSA-M |
| Mol Weight | 313.16 g/mol |
| Molecular Formula | C7H12IN3OS |
| Exact Mass | 312.974578 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DB2omvRydTV |
|---|---|
| Name | 4,5-Dihydro-1,4,6-trimethyl-3-(methylthio)-5-oxo-1,2,4-triazinium iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12IN3OS |
| InChI | InChI=1S/C7H12N3OS.HI/c1-5-6(11)9(2)7(12-4)8-10(5)3;/h1-4H3;1H/q+1;/p-1 |
| InChIKey | IGUHHHCEFLDAHP-UHFFFAOYSA-M |
| Molecular Weight | 313.157 g/mol |
| SMILES | [I-].C1(=N[N+](=C(C(N1C)=O)C)C)SC |
| SPLASH | splash10-000i-4900000000-c2bfc100805bfee82211 |
| Source of Spectrum | Y-30-1321-5 |
| Synonyms | 1,4,6-trimethyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-1-ium iodide 1,4,6-trimethyl-3-(methylthio)-1,2,4-triazin-1-ium-5-one iodide 1,4,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide 1,4,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one;iodide |
| Wiley ID | 761229 |