| SpectraBase Compound ID | C84jpw2POb8 |
|---|---|
| InChI | InChI=1S/C13H9N3O5S/c1-20-7-3-2-4-9-11(7)14-13(22-9)15-12(17)8-5-6-10(21-8)16(18)19/h2-6H,1H3,(H,14,15,17) |
| InChIKey | ZBDGUDDZLCHJHI-UHFFFAOYSA-N |
| Mol Weight | 319.29 g/mol |
| Molecular Formula | C13H9N3O5S |
| Exact Mass | 319.026292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHeb93b5Hj |
|---|---|
| Name | N-(4-Methoxy-2-benzothiazolyl)-5-nitro-2-furamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.026291571 u |
| Formula | C13H9N3O5S |
| InChI | InChI=1S/C13H9N3O5S/c1-20-7-3-2-4-9-11(7)14-13(22-9)15-12(17)8-5-6-10(21-8)16(18)19/h2-6H,1H3,(H,14,15,17) |
| InChIKey | ZBDGUDDZLCHJHI-UHFFFAOYSA-N |
| Molecular Weight | 319.291 g/mol |
| SMILES | N(C1=NC=2C(=CC=CC2S1)OC)C(C=1OC(=CC1)N(=O)=O)=O |