| SpectraBase Compound ID | LYCBd21xrJY |
|---|---|
| InChI | InChI=1S/C14H9N3O3S/c18-12-6-5-10(17(19)20)7-9(12)8-15-14-16-11-3-1-2-4-13(11)21-14/h1-8,18H/b15-8+ |
| InChIKey | WSKUZAQVRSHTBT-OVCLIPMQSA-N |
| Mol Weight | 299.3 g/mol |
| Molecular Formula | C14H9N3O3S |
| Exact Mass | 299.036462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 616qVtWaSof |
|---|---|
| Name | 1,3-Benzothiazole-2-amine, N-(2-hydroxy-5-nitro-benzylidene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.036462333 u |
| Formula | C14H9N3O3S |
| InChI | InChI=1S/C14H9N3O3S/c18-12-6-5-10(17(19)20)7-9(12)8-15-14-16-11-3-1-2-4-13(11)21-14/h1-8,18H/b15-8+ |
| InChIKey | WSKUZAQVRSHTBT-OVCLIPMQSA-N |
| Molecular Weight | 299.304 g/mol |
| SMILES | C1(=NC=2C=CC=CC2S1)\N=C\C1=CC(N(=O)=O)=CC=C1O |