| SpectraBase Compound ID | IsIp2BfuVUU |
|---|---|
| InChI | InChI=1S/C10H11NO4/c12-9(13)5-7(6-10(14)15)8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H,12,13)(H,14,15) |
| InChIKey | IYKCUIFYTXYMRX-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C10H11NO4 |
| Exact Mass | 209.068808 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 | Kzf4dQ1szG5 |
|---|---|
| Name | Pentanedioic acid, 3-(2-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.068807834 u |
| Formula | C10H11NO4 |
| InChI | InChI=1S/C10H11NO4/c12-9(13)5-7(6-10(14)15)8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H,12,13)(H,14,15) |
| InChIKey | IYKCUIFYTXYMRX-UHFFFAOYSA-N |
| Molecular Weight | 209.201 g/mol |
| SMILES | OC(CC(CC(O)=O)C1=NC=CC=C1)=O |