| SpectraBase Compound ID | 3OK30Qkg1x7 |
|---|---|
| InChI | InChI=1S/C13H12N2O3S/c1-8-6-10(11(15(17)18)7-9(8)2)14-13(16)12-4-3-5-19-12/h3-7H,1-2H3,(H,14,16) |
| InChIKey | MNZIZANDSLWKRG-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C13H12N2O3S |
| Exact Mass | 276.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSRiP1sjd3o |
|---|---|
| Name | 6'-Nitro-2-thiophenecarboxy-3',4'-xylidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.056863425 u |
| Formula | C13H12N2O3S |
| InChI | InChI=1S/C13H12N2O3S/c1-8-6-10(11(15(17)18)7-9(8)2)14-13(16)12-4-3-5-19-12/h3-7H,1-2H3,(H,14,16) |
| InChIKey | MNZIZANDSLWKRG-UHFFFAOYSA-N |
| Molecular Weight | 276.310 g/mol |
| SMILES | N(C1=CC(=C(C=C1N(=O)=O)C)C)C(C1=CC=CS1)=O |