| SpectraBase Spectrum ID |
AA3P6K1Y3pL |
| Name |
ISOMETHIOZINE |
| CAS Registry Number |
57052-04-7 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
268.135782453 u |
| Formula |
C12H20N4OS |
| InChI |
InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3/b13-7+ |
| InChIKey |
MZTLOILRKLUURT-NTUHNPAUSA-N |
| Molecular Weight |
268.379 g/mol |
| Nominal Mass |
268 u |
| Number of Peaks |
84 |
| SMILES |
C=1(C(N(C(=NN1)SC)\N=C\C(C)C)=O)C(C)(C)C |
| SPLASH |
splash10-002g-9430000000-91b30a6b36baa5446400 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
6-tert-butyl-4-{[(E)-2-methylpropylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-tert-butyl-4-{[2-methylpropylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3930 |
