| SpectraBase Compound ID | 7IGtHxTURkl |
|---|---|
| InChI | InChI=1S/C12H14N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1 |
| InChIKey | WSNWTEDNJVCMEI-VIFPVBQESA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C12H14N2O4 |
| Exact Mass | 250.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s6w5RNLrXi |
|---|---|
| Name | (2S)-N-(2-Nitrobenzoyl)pyrrolidinemethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.095356935 u |
| Formula | C12H14N2O4 |
| InChI | InChI=1S/C12H14N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1 |
| InChIKey | WSNWTEDNJVCMEI-VIFPVBQESA-N |
| Molecular Weight | 250.254 g/mol |
| SMILES | C(C=1C(N(=O)=O)=CC=CC1)(N1[C@](CO)(CCC1)[H])=O |