| SpectraBase Compound ID | IXeur4WuosI |
|---|---|
| InChI | InChI=1S/C15H12N2O3S/c1-20-11-4-2-3-9(7-11)14-16-17-15(21-14)12-6-5-10(18)8-13(12)19/h2-8,18-19H,1H3 |
| InChIKey | MJKXTXVMNWICJB-UHFFFAOYSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C15H12N2O3S |
| Exact Mass | 300.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AknV4WdDoRO |
|---|---|
| Name | 4-(5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-yl)benzene-1,3- diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.056863425 u |
| Formula | C15H12N2O3S |
| InChI | InChI=1S/C15H12N2O3S/c1-20-11-4-2-3-9(7-11)14-16-17-15(21-14)12-6-5-10(18)8-13(12)19/h2-8,18-19H,1H3 |
| InChIKey | MJKXTXVMNWICJB-UHFFFAOYSA-N |
| Molecular Weight | 300.332 g/mol |
| SMILES | C1(=NN=C(S1)C1=CC(=CC=C1)OC)C=1C=CC(=CC1O)O |