| SpectraBase Compound ID | I4K1gSVoNsS |
|---|---|
| InChI | InChI=1S/C13H11NO3S/c1-9(15)14-10-4-6-11(7-5-10)17-13(16)12-3-2-8-18-12/h2-8H,1H3,(H,14,15) |
| InChIKey | FGNYPSLGEUCLPH-UHFFFAOYSA-N |
| Mol Weight | 261.29 g/mol |
| Molecular Formula | C13H11NO3S |
| Exact Mass | 261.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iIelhrOpRF |
|---|---|
| Name | 4-(Acetylamino)phenyl 2-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.045964389 u |
| Formula | C13H11NO3S |
| InChI | InChI=1S/C13H11NO3S/c1-9(15)14-10-4-6-11(7-5-10)17-13(16)12-3-2-8-18-12/h2-8H,1H3,(H,14,15) |
| InChIKey | FGNYPSLGEUCLPH-UHFFFAOYSA-N |
| Molecular Weight | 261.295 g/mol |
| SMILES | C=1(SC=CC1)C(=O)OC1=CC=C(C=C1)NC(=O)C |