| SpectraBase Compound ID | A5tLXhFdnxU |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-16-9-5-3-8(4-6-9)13-10(7-11(13)14)12(15)17-2/h3-6,10H,7H2,1-2H3 |
| InChIKey | QQHRGRHIOWVVDY-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mTo6bq680C |
|---|---|
| Name | Methyl 1-(4'-methoxyphenyl)-4-oxo-2-azetidinecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-16-9-5-3-8(4-6-9)13-10(7-11(13)14)12(15)17-2/h3-6,10H,7H2,1-2H3 |
| InChIKey | QQHRGRHIOWVVDY-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C1(N(C=2C=CC(=CC2)OC)C(C1)C(=O)OC)=O |