| SpectraBase Compound ID | CDae5mwa2O8 |
|---|---|
| InChI | InChI=1S/C13H11NO2S/c1-10(12-8-5-9-17-12)14-16-13(15)11-6-3-2-4-7-11/h2-9H,1H3/b14-10+ |
| InChIKey | VEDLFVRPLQEYON-GXDHUFHOSA-N |
| Mol Weight | 245.3 g/mol |
| Molecular Formula | C13H11NO2S |
| Exact Mass | 245.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97I6d6dr4LF |
|---|---|
| Name | Benzoic acid, 1-(2-thienyl)ethylidenamino ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.051049770 u |
| Formula | C13H11NO2S |
| InChI | InChI=1S/C13H11NO2S/c1-10(12-8-5-9-17-12)14-16-13(15)11-6-3-2-4-7-11/h2-9H,1H3/b14-10+ |
| InChIKey | VEDLFVRPLQEYON-GXDHUFHOSA-N |
| Molecular Weight | 245.296 g/mol |
| SMILES | C1=CC=C(C=C1)C(O\N=C\(C=1SC=CC1)C)=O |