| SpectraBase Compound ID | 3y1M4biEP78 |
|---|---|
| InChI | InChI=1S/C12H13NO3/c14-11-6-10(7-13(11)8-12(15)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) |
| InChIKey | IBYVEHXQCORQKW-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 | BeCXc3z5536 |
|---|---|
| Name | 1-Pyrrolidineacetic acid, 2-oxo-4-phenyl- |
| 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/c14-11-6-10(7-13(11)8-12(15)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) |
| InChIKey | IBYVEHXQCORQKW-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | OC(CN1CC(C2=CC=CC=C2)CC1=O)=O |