| SpectraBase Compound ID | 6YsxuK5iBz2 |
|---|---|
| InChI | InChI=1S/C13H15NO4/c1-18-10-5-2-4-9(8-10)12(15)14-7-3-6-11(14)13(16)17/h2,4-5,8,11H,3,6-7H2,1H3,(H,16,17)/t11-/m0/s1 |
| InChIKey | AFSBGWWGMOVVAA-NSHDSACASA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C13H15NO4 |
| Exact Mass | 249.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPAfUHvkR6J |
|---|---|
| Name | (2S)-1-(3-Methoxybenzoyl)pyrrolidine-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.100107963 u |
| Formula | C13H15NO4 |
| InChI | InChI=1S/C13H15NO4/c1-18-10-5-2-4-9(8-10)12(15)14-7-3-6-11(14)13(16)17/h2,4-5,8,11H,3,6-7H2,1H3,(H,16,17)/t11-/m0/s1 |
| InChIKey | AFSBGWWGMOVVAA-NSHDSACASA-N |
| Molecular Weight | 249.266 g/mol |
| SMILES | C(N1[C@](C(=O)O)(CCC1)[H])(C=1C=C(OC)C=CC1)=O |