| SpectraBase Compound ID | 9qJhTrh9cvR |
|---|---|
| InChI | InChI=1S/C12H15N3OS/c1-9(16)15-12(2,3)17-11(14-15)13-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14) |
| InChIKey | CVSMELMRDXKULK-UHFFFAOYSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C12H15N3OS |
| Exact Mass | 249.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m8cJsjKHh3 |
|---|---|
| Name | 1,3,4-Thiadiazole, 2,3-dihydro-2,2-dimethyl-3-acetyl-5-anilino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.093583288 u |
| Formula | C12H15N3OS |
| InChI | InChI=1S/C12H15N3OS/c1-9(16)15-12(2,3)17-11(14-15)13-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14) |
| InChIKey | CVSMELMRDXKULK-UHFFFAOYSA-N |
| Molecular Weight | 249.332 g/mol |
| SMILES | C1=CC=C(C=C1)NC1=NN(C(=O)C)C(S1)(C)C |