| SpectraBase Compound ID | B75T7PPUOVZ |
|---|---|
| InChI | InChI=1S/C12H13NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,16,17)/t9?,10-/m0/s1 |
| InChIKey | YLJPKSKTKJEACX-AXDSSHIGSA-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 | K8l22Fvjtky |
|---|---|
| Name | L-Proline-3-ol, N-benzoyl- |
| 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/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,16,17)/t9?,10-/m0/s1 |
| InChIKey | YLJPKSKTKJEACX-AXDSSHIGSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C1N([C@@](CC1O)(C(=O)O)[H])C(=O)C1=CC=CC=C1 |