![5-[(3R,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1H-pyridine-2-carboxylic acid](/api/spectrum/3mUDB3BJu4N/structure.png?h=300&w=458 "5-[(3R,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1H-pyridine-2-carboxylic acid")
| SpectraBase Compound ID | DAlp59So86K |
|---|---|
| InChI | InChI=1S/C13H14N2O7/c16-9(17)3-6-7(4-14-10(6)13(21)22)5-1-2-8(12(19)20)15-11(5)18/h1-2,6-7,10,14H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7-,10-/m0/s1 |
| InChIKey | CWXNEBSQRIECMV-BYULHYEWSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C13H14N2O7 |
| Exact Mass | 310.080101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mUDB3BJu4N |
|---|---|
| Name | 5-[(3R,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1H-pyridine-2-carboxylic acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H14N2O7 |
| InChI | InChI=1S/C13H14N2O7/c16-9(17)3-6-7(4-14-10(6)13(21)22)5-1-2-8(12(19)20)15-11(5)18/h1-2,6-7,10,14H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7-,10-/m0/s1 |
| InChIKey | CWXNEBSQRIECMV-BYULHYEWSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2010) |
| Molecular Weight | 310.263 g/mol |
| Source File Reference | MHKO25705 |