![1-(4-Methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone](/api/spectrum/3iQtjuvQTFs/structure.png?h=300&w=458 "1-(4-Methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone")
| SpectraBase Compound ID | 8JgB2fb7Jjs |
|---|---|
| InChI | InChI=1S/C12H12N2O2S2/c1-8-13-14-12(18-8)17-7-11(15)9-3-5-10(16-2)6-4-9/h3-6H,7H2,1-2H3 |
| InChIKey | QHCSIWSQYWQLGA-UHFFFAOYSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C12H12N2O2S2 |
| Exact Mass | 280.03402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iQtjuvQTFs |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.034019980 u |
| Formula | C12H12N2O2S2 |
| InChI | InChI=1S/C12H12N2O2S2/c1-8-13-14-12(18-8)17-7-11(15)9-3-5-10(16-2)6-4-9/h3-6H,7H2,1-2H3 |
| InChIKey | QHCSIWSQYWQLGA-UHFFFAOYSA-N |
| SMILES | COC=1C=CC(C(CSC=2SC(=NN2)C)=O)=CC1 |