| SpectraBase Compound ID | 80E07IYyIXv |
|---|---|
| InChI | InChI=1S/C12H14N2O4/c1-18-12(15)11-7-4-8-13(11)9-5-2-3-6-10(9)14(16)17/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m0/s1 |
| InChIKey | ZKEIYKMRUDYLSA-NSHDSACASA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C12H14N2O4 |
| Exact Mass | 250.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4pjRQNkzXSe |
|---|---|
| Name | L-Proline, 1-(2-nitrophenyl)-, methyl ester |
| 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/c1-18-12(15)11-7-4-8-13(11)9-5-2-3-6-10(9)14(16)17/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m0/s1 |
| InChIKey | ZKEIYKMRUDYLSA-NSHDSACASA-N |
| Molecular Weight | 250.254 g/mol |
| SMILES | C=1(N2[C@](C(=O)OC)(CCC2)[H])C(N(=O)=O)=CC=CC1 |