| SpectraBase Compound ID | 6VrPDpyMdTS |
|---|---|
| InChI | InChI=1S/C12H15NO5/c1-8(14)13-5-6-18-10-4-3-9(12(15)16)7-11(10)17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | SOLICWIHGKYPDV-UHFFFAOYSA-N |
| Mol Weight | 253.25 g/mol |
| Molecular Formula | C12H15NO5 |
| Exact Mass | 253.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kpr2cAMY8s |
|---|---|
| Name | 4-(2-Acetamidoethoxy)-3-methoxybenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.095022582 u |
| Formula | C12H15NO5 |
| InChI | InChI=1S/C12H15NO5/c1-8(14)13-5-6-18-10-4-3-9(12(15)16)7-11(10)17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | SOLICWIHGKYPDV-UHFFFAOYSA-N |
| Molecular Weight | 253.254 g/mol |
| SMILES | C1=C(C=CC(=C1OC)OCCNC(C)=O)C(O)=O |