| SpectraBase Spectrum ID |
FUFs3BLyN3L |
| Name |
Acetic acid, [(4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.161662848 u |
| Formula |
C16H25N3O3S |
| InChI |
InChI=1S/C16H25N3O3S/c1-9(2)12-6-5-10(3)7-13(12)22-14(20)8-23-16-17-15(21)11(4)18-19-16/h9-10,12-13H,5-8H2,1-4H3,(H,17,19,21) |
| InChIKey |
WRFZJVDMSKNDAC-UHFFFAOYSA-N |
| Molecular Weight |
339.454 g/mol |
| SMILES |
N1C(=NN=C(C1=O)C)SCC(OC1C(CCC(C1)C)C(C)C)=O |
![Acetic acid, [(4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester](/api/spectrum/FUFs3BLyN3L/structure.png?h=300&w=458 "Acetic acid, [(4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester")
