| SpectraBase Compound ID | 3wO2NBxkQxt |
|---|---|
| InChI | InChI=1S/C13H12ClNO4/c1-3-18-13(17)12-11(15-7(2)16)9-6-8(14)4-5-10(9)19-12/h4-6H,3H2,1-2H3,(H,15,16) |
| InChIKey | MNLLTWRUVLQQFD-UHFFFAOYSA-N |
| Mol Weight | 281.69 g/mol |
| Molecular Formula | C13H12ClNO4 |
| Exact Mass | 281.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1S07rhJnVky |
|---|---|
| Name | 2-Benzofurancarboxylic acid, 3-(acetylamino)-5-chloro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.045485566 u |
| Formula | C13H12ClNO4 |
| InChI | InChI=1S/C13H12ClNO4/c1-3-18-13(17)12-11(15-7(2)16)9-6-8(14)4-5-10(9)19-12/h4-6H,3H2,1-2H3,(H,15,16) |
| InChIKey | MNLLTWRUVLQQFD-UHFFFAOYSA-N |
| Molecular Weight | 281.695 g/mol |
| SMILES | N(C1=C(OC2=CC=C(C=C12)Cl)C(=O)OCC)C(=O)C |