| SpectraBase Compound ID | IFz6G6RCVU4 |
|---|---|
| InChI | InChI=1S/C15H12ClNO4/c1-2-20-14(18)11-7-5-8-12(17-11)15(19)21-13-9-4-3-6-10(13)16/h3-9H,2H2,1H3 |
| InChIKey | FGKISQOJJDYMCS-UHFFFAOYSA-N |
| Mol Weight | 305.72 g/mol |
| Molecular Formula | C15H12ClNO4 |
| Exact Mass | 305.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RK4JQXbn17 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 2-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.045485566 u |
| Formula | C15H12ClNO4 |
| InChI | InChI=1S/C15H12ClNO4/c1-2-20-14(18)11-7-5-8-12(17-11)15(19)21-13-9-4-3-6-10(13)16/h3-9H,2H2,1H3 |
| InChIKey | FGKISQOJJDYMCS-UHFFFAOYSA-N |
| Molecular Weight | 305.717 g/mol |
| SMILES | C1=CC=C(C(=C1)Cl)OC(C1=NC(C(OCC)=O)=CC=C1)=O |