| SpectraBase Compound ID | HU1EbXSCezX |
|---|---|
| InChI | InChI=1S/C12H13NO3/c1-2-6-10(14)13-11(12(15)16)9-7-4-3-5-8-9/h2-5,7-8,11H,1,6H2,(H,13,14)(H,15,16) |
| InChIKey | YWWYUDPONUWMOS-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xXVtqnnwYC |
|---|---|
| Name | but-3-Enoylaminophenylacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c1-2-6-10(14)13-11(12(15)16)9-7-4-3-5-8-9/h2-5,7-8,11H,1,6H2,(H,13,14)(H,15,16) |
| InChIKey | YWWYUDPONUWMOS-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | N(C(C(=O)O)c1ccccc1)C(=O)CC=C |