| SpectraBase Compound ID | 4EPIY2m73d4 |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3 |
| InChIKey | QOBSFYNWVVYPMM-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hohh6uA10WJ |
|---|---|
| Name | Methyl 4-(4-aminophenyl)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3 |
| InChIKey | QOBSFYNWVVYPMM-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | C1(=CC=C(C=C1)N)C(CCC(OC)=O)=O |