| SpectraBase Compound ID | 96cBvKOaQM8 |
|---|---|
| InChI | InChI=1S/C8H5N3O3S/c12-11(13)6-3-1-2-5(4-6)7-9-10-8(15)14-7/h1-4H,(H,10,15) |
| InChIKey | WRBROPFHVKCQKV-UHFFFAOYSA-N |
| Mol Weight | 223.21 g/mol |
| Molecular Formula | C8H5N3O3S |
| Exact Mass | 223.005162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6xHqUgtiSPR |
|---|---|
| Name | 1,3,4-Oxadiazole-2-thiol, 5-(3-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.005162204 u |
| Formula | C8H5N3O3S |
| InChI | InChI=1S/C8H5N3O3S/c12-11(13)6-3-1-2-5(4-6)7-9-10-8(15)14-7/h1-4H,(H,10,15) |
| InChIKey | WRBROPFHVKCQKV-UHFFFAOYSA-N |
| SMILES | C1(S)=NN=C(O1)C1=CC(=CC=C1)N(=O)=O |