| SpectraBase Spectrum ID |
B6pFwx2IjL7 |
| Name |
3,4-Dehydro-D,L-proline |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3395-35-5 |
| Comments |
100 mM 3,4-dehydro-D/L-proline - vendor: Sigma 862216; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C5H7NO2 |
| IUPAC Name |
2,5-dihydro-1H-pyrrole-2-carboxylic acid |
| InChI |
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m0/s1 |
| InChIKey |
OMGHIGVFLOPEHJ-BYPYZUCNSA-N |
| PubChem Compound ID |
97858 |
| SMILES |
C1C=CC(N1)C(=O)O |
| Source File Reference |
bmse000080 |
