| SpectraBase Compound ID | 4tL5vy8cQ54 |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-2-3-9-12(14-10-15)13(16)17-11-7-5-4-6-8-11/h2-8,10,12H,9H2,1H3,(H,14,15)/b3-2+ |
| InChIKey | HOKTWXZCVPEJTE-NSCUHMNNSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqkjqgkkFnD |
|---|---|
| Name | N-Formyl-trans-crotylglycine phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c1-2-3-9-12(14-10-15)13(16)17-11-7-5-4-6-8-11/h2-8,10,12H,9H2,1H3,(H,14,15)/b3-2+ |
| InChIKey | HOKTWXZCVPEJTE-NSCUHMNNSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C(OC=1C=CC=CC1)(=O)C(NC=O)C\C=C\C |