| SpectraBase Compound ID | B08KRhW2u9F |
|---|---|
| InChI | InChI=1S/C12H11NO4/c13-5-6-16-11(14)9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7H,5-6,13H2 |
| InChIKey | BXUZUXQJKGFHCF-UHFFFAOYSA-N |
| Mol Weight | 233.22 g/mol |
| Molecular Formula | C12H11NO4 |
| Exact Mass | 233.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FtjDcEpPSYC |
|---|---|
| Name | 2-Aminoethyl 2-oxo-2H-chromene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.068807834 u |
| Formula | C12H11NO4 |
| InChI | InChI=1S/C12H11NO4/c13-5-6-16-11(14)9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7H,5-6,13H2 |
| InChIKey | BXUZUXQJKGFHCF-UHFFFAOYSA-N |
| Molecular Weight | 233.223 g/mol |
| SMILES | C1=CC=CC2=C1OC(=O)C(=C2)C(OCCN)=O |