| SpectraBase Compound ID | 2nXiYu0qgTQ |
|---|---|
| InChI | InChI=1S/C13H13NOS/c1-9-5-3-6-10(2)12(9)14-13(15)11-7-4-8-16-11/h3-8H,1-2H3,(H,14,15) |
| InChIKey | JKMGXSAANJKKIH-UHFFFAOYSA-N |
| Mol Weight | 231.31 g/mol |
| Molecular Formula | C13H13NOS |
| Exact Mass | 231.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F23fzI5ENC |
|---|---|
| Name | N-(2,6-Xylyl)-2-thiophenecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.071785216 u |
| Formula | C13H13NOS |
| InChI | InChI=1S/C13H13NOS/c1-9-5-3-6-10(2)12(9)14-13(15)11-7-4-8-16-11/h3-8H,1-2H3,(H,14,15) |
| InChIKey | JKMGXSAANJKKIH-UHFFFAOYSA-N |
| Molecular Weight | 231.313 g/mol |
| SMILES | CC1=C(NC(C=2SC=CC2)=O)C(C)=CC=C1 |