| SpectraBase Compound ID | JNsL5gs9CBS |
|---|---|
| InChI | InChI=1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+ |
| InChIKey | JSRVVUSBZJFOJO-BETUJISGSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C15H19NO4 |
| Exact Mass | 277.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SBLUgU37z2 |
|---|---|
| Name | (3R,4S)-1-(Phenylmethyl)pyrrolidine-3,4-dicarboxylic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.131408092 u |
| Formula | C15H19NO4 |
| InChI | InChI=1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+ |
| InChIKey | JSRVVUSBZJFOJO-BETUJISGSA-N |
| SMILES | [C@]1([C@@](C(=O)OC)(CN(C1)CC=1C=CC=CC1)[H])(C(=O)OC)[H] |