| SpectraBase Compound ID | AEsma38KFTD |
|---|---|
| InChI | InChI=1S/C11H11N3O2S/c1-16-11(15)12-10-14-13-9(17-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15) |
| InChIKey | ZQVIBMPIELPRTQ-UHFFFAOYSA-N |
| Mol Weight | 249.29 g/mol |
| Molecular Formula | C11H11N3O2S |
| Exact Mass | 249.057198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRdjsrKd3E9 |
|---|---|
| Name | Methyl 5-benzyl-1,3,4-thiadiazol-2-ylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.057197778 u |
| Formula | C11H11N3O2S |
| InChI | InChI=1S/C11H11N3O2S/c1-16-11(15)12-10-14-13-9(17-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15) |
| InChIKey | ZQVIBMPIELPRTQ-UHFFFAOYSA-N |
| Molecular Weight | 249.288 g/mol |
| SMILES | N(C=1SC(CC=2C=CC=CC2)=NN1)C(=O)OC |