| SpectraBase Compound ID | 2ml3Ok3oSgM |
|---|---|
| InChI | InChI=1S/C12H12ClN3O2S/c1-7(18-10-5-3-9(13)4-6-10)11-15-16-12(19-11)14-8(2)17/h3-7H,1-2H3,(H,14,16,17) |
| InChIKey | CQVQBXDYWRYBCF-UHFFFAOYSA-N |
| Mol Weight | 297.76 g/mol |
| Molecular Formula | C12H12ClN3O2S |
| Exact Mass | 297.033876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqaULFBzfAy |
|---|---|
| Name | N-(5-(1-(4-Chlorophenoxy)ethyl)-1,3,4-thiadiazol-2-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.033875510 u |
| Formula | C12H12ClN3O2S |
| InChI | InChI=1S/C12H12ClN3O2S/c1-7(18-10-5-3-9(13)4-6-10)11-15-16-12(19-11)14-8(2)17/h3-7H,1-2H3,(H,14,16,17) |
| InChIKey | CQVQBXDYWRYBCF-UHFFFAOYSA-N |
| Molecular Weight | 297.760 g/mol |
| SMILES | C=1(SC(=NN1)C(C)OC1=CC=C(C=C1)Cl)NC(C)=O |