| SpectraBase Compound ID | 9TAiVLZ9m2X |
|---|---|
| InChI | InChI=1S/C12H13N3O2S/c1-7(2)11-14-15-12(18-11)13-10(17)8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,13,15,17) |
| InChIKey | MAIHZAAIDGMNFK-UHFFFAOYSA-N |
| Mol Weight | 263.31 g/mol |
| Molecular Formula | C12H13N3O2S |
| Exact Mass | 263.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyhQkJymtnx |
|---|---|
| Name | 2-Isopropyl-5-(2-hydroxybenzoylamino)-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.072847843 u |
| Formula | C12H13N3O2S |
| InChI | InChI=1S/C12H13N3O2S/c1-7(2)11-14-15-12(18-11)13-10(17)8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,13,15,17) |
| InChIKey | MAIHZAAIDGMNFK-UHFFFAOYSA-N |
| Molecular Weight | 263.315 g/mol |
| SMILES | C1(=CC=CC=C1O)C(NC=1SC(=NN1)C(C)C)=O |