| SpectraBase Compound ID | 6GiOM48kzuu |
|---|---|
| InChI | InChI=1S/C14H11Cl2NO3/c1-20-14(19)9-5-6-13(18)17(7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3 |
| InChIKey | CGRFOKGBHATUHG-UHFFFAOYSA-N |
| Mol Weight | 312.15 g/mol |
| Molecular Formula | C14H11Cl2NO3 |
| Exact Mass | 311.011599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HUgO0Qf6I7 |
|---|---|
| Name | 1-(2,6-Dichlorobenzyl)-1,6-dihydro-6-oxonicotinic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.011598615 u |
| Formula | C14H11Cl2NO3 |
| InChI | InChI=1S/C14H11Cl2NO3/c1-20-14(19)9-5-6-13(18)17(7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3 |
| InChIKey | CGRFOKGBHATUHG-UHFFFAOYSA-N |
| Molecular Weight | 312.152 g/mol |
| SMILES | COC(C=1C=CC(N(C1)CC1=C(C=CC=C1Cl)Cl)=O)=O |