| SpectraBase Compound ID | 8pHELIGeZx |
|---|---|
| InChI | InChI=1S/C12H13NO5/c1-7(14)13-9-4-2-8(3-5-11(15)16)10(6-9)12(17)18/h2,4,6H,3,5H2,1H3,(H,13,14)(H,15,16)(H,17,18) |
| InChIKey | SWOFDPQHZLPOAE-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7M5cvuRzJI2 |
|---|---|
| Name | 5-Acetamido-2-(2-carboxyethyl)benzoic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c1-7(14)13-9-4-2-8(3-5-11(15)16)10(6-9)12(17)18/h2,4,6H,3,5H2,1H3,(H,13,14)(H,15,16)(H,17,18) |
| InChIKey | SWOFDPQHZLPOAE-UHFFFAOYSA-N |
| Molecular Weight | 251.238 g/mol |
| SMILES | OC(c1cc(NC(=O)C)ccc1CCC(=O)O)=O |
| SPLASH | splash10-0w29-1930000000-992e7c4ab325f900c13b |
| Source of Spectrum | F-55-3901-6 |
| Wiley ID | 837306 |