| SpectraBase Compound ID | HNKw6BoZ3wL |
|---|---|
| InChI | InChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4?,5-/m1/s1 |
| InChIKey | WFDSWNXTPKLLOT-BRJRFNKRSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C7H12N2O4 |
| Exact Mass | 188.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oTX7utsFKD |
|---|---|
| Name | Allo-4-hydroxy-D-prolylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.079706870 u |
| Formula | C7H12N2O4 |
| InChI | InChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4?,5-/m1/s1 |
| InChIKey | WFDSWNXTPKLLOT-BRJRFNKRSA-N |
| SMILES | C1N[C@](CC1O)(C(NCC(O)=O)=O)[H] |