| SpectraBase Compound ID | 9qd8cDqkVm3 |
|---|---|
| InChI | InChI=1S/C14H12ClN3OS/c1-8(2)11-7-20-14(16-11)13-18-17-12(19-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3 |
| InChIKey | YXUYDEOJQVPMTN-UHFFFAOYSA-N |
| Mol Weight | 305.78 g/mol |
| Molecular Formula | C14H12ClN3OS |
| Exact Mass | 305.038961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbMzWRVoF9O |
|---|---|
| Name | 2-(4-Chlorophenyl)-5-(4-isopropylthiazol-2-yl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.038960891 u |
| Formula | C14H12ClN3OS |
| InChI | InChI=1S/C14H12ClN3OS/c1-8(2)11-7-20-14(16-11)13-18-17-12(19-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3 |
| InChIKey | YXUYDEOJQVPMTN-UHFFFAOYSA-N |
| Molecular Weight | 305.783 g/mol |
| SMILES | C=1(C2=NC(C(C)C)=CS2)OC(C=2C=CC(=CC2)Cl)=NN1 |