| SpectraBase Compound ID | 8aGfa0Nuj6l |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3/b9-7- |
| InChIKey | LPYNWRPARGBJOL-CLFYSBASSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11BUOWPzPE8 |
|---|---|
| Name | 2-Butenoic acid, 3-amino-, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3/b9-7- |
| InChIKey | LPYNWRPARGBJOL-CLFYSBASSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C1=CC=CC(=C1)COC(\C=C\(C)N)=O |