| SpectraBase Compound ID | 6KGRPICAtyU |
|---|---|
| InChI | InChI=1S/C14H8N4O5S/c19-13(8-2-1-3-9(6-8)17(20)21)16-14-15-11-5-4-10(18(22)23)7-12(11)24-14/h1-7H,(H,15,16,19) |
| InChIKey | MOCQIVNPBVSNKA-UHFFFAOYSA-N |
| Mol Weight | 344.3 g/mol |
| Molecular Formula | C14H8N4O5S |
| Exact Mass | 344.021541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCes5GCG9Q4 |
|---|---|
| Name | 3-Nitro-N-(6-nitro-2-benzothiazolyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.021540543 u |
| Formula | C14H8N4O5S |
| InChI | InChI=1S/C14H8N4O5S/c19-13(8-2-1-3-9(6-8)17(20)21)16-14-15-11-5-4-10(18(22)23)7-12(11)24-14/h1-7H,(H,15,16,19) |
| InChIKey | MOCQIVNPBVSNKA-UHFFFAOYSA-N |
| Molecular Weight | 344.301 g/mol |
| SMILES | C1=C2C(=CC=C1N(=O)=O)N=C(S2)NC(C1=CC(=CC=C1)N(=O)=O)=O |