| SpectraBase Compound ID | IcaYd3bUzWh |
|---|---|
| InChI | InChI=1S/C12H13NO5/c14-10(9-4-2-1-3-5-9)6-13(7-11(15)16)8-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18) |
| InChIKey | ALHOBCVMWGKLNK-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vpHZSRudbL |
|---|---|
| Name | Phenacylamine-N,N-diacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.079372518 u |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c14-10(9-4-2-1-3-5-9)6-13(7-11(15)16)8-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18) |
| InChIKey | ALHOBCVMWGKLNK-UHFFFAOYSA-N |
| Molecular Weight | 251.238 g/mol |
| SMILES | C1=C(C=CC=C1)C(CN(CC(O)=O)CC(=O)O)=O |