| SpectraBase Compound ID | 2GSJ6HGD8P3 |
|---|---|
| InChI | InChI=1S/C14H10N2O4S/c17-8-2-3-9(11(19)6-8)14-16-15-13(21-14)7-1-4-10(18)12(20)5-7/h1-6,17-20H |
| InChIKey | WCWJMCVRJVZEQB-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C14H10N2O4S |
| Exact Mass | 302.036128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KyuKJYoEnES |
|---|---|
| Name | 4-(5-(3,4-Dihydroxyphenyl)-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 | 302.036127980 u |
| Formula | C14H10N2O4S |
| InChI | InChI=1S/C14H10N2O4S/c17-8-2-3-9(11(19)6-8)14-16-15-13(21-14)7-1-4-10(18)12(20)5-7/h1-6,17-20H |
| InChIKey | WCWJMCVRJVZEQB-UHFFFAOYSA-N |
| Molecular Weight | 302.304 g/mol |
| SMILES | C1(=NN=C(S1)C1=CC(=C(C=C1)O)O)C=1C=CC(=CC1O)O |