| SpectraBase Compound ID | Ew1zJZA1lmq |
|---|---|
| InChI | InChI=1S/C16H13Cl2NO4/c1-2-22-15(20)13-4-3-5-14(19-13)16(21)23-9-10-6-11(17)8-12(18)7-10/h3-8H,2,9H2,1H3 |
| InChIKey | AUBHKNTVZYWLJY-UHFFFAOYSA-N |
| Mol Weight | 354.19 g/mol |
| Molecular Formula | C16H13Cl2NO4 |
| Exact Mass | 353.022163 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 | 5J1UR6FuA1r |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.022163299 u |
| Formula | C16H13Cl2NO4 |
| InChI | InChI=1S/C16H13Cl2NO4/c1-2-22-15(20)13-4-3-5-14(19-13)16(21)23-9-10-6-11(17)8-12(18)7-10/h3-8H,2,9H2,1H3 |
| InChIKey | AUBHKNTVZYWLJY-UHFFFAOYSA-N |
| Molecular Weight | 354.189 g/mol |
| SMILES | C1=C(C=C(C=C1Cl)COC(C1=NC(C(OCC)=O)=CC=C1)=O)Cl |