| SpectraBase Compound ID | 5TLrV63aXbe |
|---|---|
| InChI | InChI=1S/C21H19NO4/c1-2-3-14-25-20(23)16-10-4-5-11-17(16)21(24)26-18-12-6-8-15-9-7-13-22-19(15)18/h4-13H,2-3,14H2,1H3 |
| InChIKey | GAFKSJUVSQQEBE-UHFFFAOYSA-N |
| Mol Weight | 349.39 g/mol |
| Molecular Formula | C21H19NO4 |
| Exact Mass | 349.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mIlKcrmy0k |
|---|---|
| Name | Phthalic acid, butyl 8-quinolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.131408092 u |
| Formula | C21H19NO4 |
| InChI | InChI=1S/C21H19NO4/c1-2-3-14-25-20(23)16-10-4-5-11-17(16)21(24)26-18-12-6-8-15-9-7-13-22-19(15)18/h4-13H,2-3,14H2,1H3 |
| InChIKey | GAFKSJUVSQQEBE-UHFFFAOYSA-N |
| Molecular Weight | 349.386 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OC=1C=CC=C2C=CC=NC12)=O)(OCCCC)=O |