![1,2,4-triazin-5(2H)-one, 6-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)-](/api/spectrum/J7HaG3Q6gg4/structure.png?h=300&w=458 "1,2,4-triazin-5(2H)-one, 6-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)-")
| SpectraBase Compound ID | KfXTKbeZw8U |
|---|---|
| InChI | InChI=1S/C13H15N3O3S/c1-18-10-5-4-8(7-11(10)19-2)6-9-12(17)14-13(20-3)16-15-9/h4-5,7H,6H2,1-3H3,(H,14,16,17) |
| InChIKey | XCGWDOZGYYHNDM-UHFFFAOYSA-N |
| Mol Weight | 293.34 g/mol |
| Molecular Formula | C13H15N3O3S |
| Exact Mass | 293.083413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7HaG3Q6gg4 |
|---|---|
| Name | 1,2,4-Triazin-5(2H)-one, 6-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.083412526 u |
| Formula | C13H15N3O3S |
| InChI | InChI=1S/C13H15N3O3S/c1-18-10-5-4-8(7-11(10)19-2)6-9-12(17)14-13(20-3)16-15-9/h4-5,7H,6H2,1-3H3,(H,14,16,17) |
| InChIKey | XCGWDOZGYYHNDM-UHFFFAOYSA-N |
| SMILES | N1C(=NC(C(=N1)CC1=CC(OC)=C(C=C1)OC)=O)SC |