| SpectraBase Compound ID | LUmRioSJT7Y |
|---|---|
| InChI | InChI=1S/C15H11N3O3S/c1-21-12-6-7-13-14(8-12)22-15(17-13)16-9-10-2-4-11(5-3-10)18(19)20/h2-9H,1H3/b16-9+ |
| InChIKey | IECILIDMVAQLCG-CXUHLZMHSA-N |
| Mol Weight | 313.33 g/mol |
| Molecular Formula | C15H11N3O3S |
| Exact Mass | 313.052112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fcZi2aAleC |
|---|---|
| Name | Benzothiazole, 6-methoxy-2-(4-nitrobenzylidenamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.052112397 u |
| Formula | C15H11N3O3S |
| InChI | InChI=1S/C15H11N3O3S/c1-21-12-6-7-13-14(8-12)22-15(17-13)16-9-10-2-4-11(5-3-10)18(19)20/h2-9H,1H3/b16-9+ |
| InChIKey | IECILIDMVAQLCG-CXUHLZMHSA-N |
| Molecular Weight | 313.331 g/mol |
| SMILES | C1(=NC2=CC=C(OC)C=C2S1)\N=C\C=1C=CC(N(=O)=O)=CC1 |