| SpectraBase Compound ID | CTTWdleE9LI |
|---|---|
| InChI | InChI=1S/C11H8N2O3S/c14-11(12-9-4-2-1-3-5-9)8-6-10(13(15)16)17-7-8/h1-7H,(H,12,14) |
| InChIKey | AMPJDTBJASSLGJ-UHFFFAOYSA-N |
| Mol Weight | 248.26 g/mol |
| Molecular Formula | C11H8N2O3S |
| Exact Mass | 248.025563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7omHci7jbK2 |
|---|---|
| Name | 5-Nitro-3-thiophenecarboxanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.025563297 u |
| Formula | C11H8N2O3S |
| InChI | InChI=1S/C11H8N2O3S/c14-11(12-9-4-2-1-3-5-9)8-6-10(13(15)16)17-7-8/h1-7H,(H,12,14) |
| InChIKey | AMPJDTBJASSLGJ-UHFFFAOYSA-N |
| Molecular Weight | 248.256 g/mol |
| SMILES | C1=CC=C(C=C1)NC(C=1C=C(N(=O)=O)SC1)=O |