| SpectraBase Compound ID | 4qdFin3ks9k |
|---|---|
| InChI | InChI=1S/C21H19NO4/c1-14(2)13-25-20(23)16-9-3-4-10-17(16)21(24)26-18-11-5-7-15-8-6-12-22-19(15)18/h3-12,14H,13H2,1-2H3 |
| InChIKey | QXLINEVYTFIXHU-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 | ENhcSFhYd3Q |
|---|---|
| Name | Phthalic acid, isobutyl 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/c1-14(2)13-25-20(23)16-9-3-4-10-17(16)21(24)26-18-11-5-7-15-8-6-12-22-19(15)18/h3-12,14H,13H2,1-2H3 |
| InChIKey | QXLINEVYTFIXHU-UHFFFAOYSA-N |
| Molecular Weight | 349.386 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC=1C=CC=C2C=CC=NC12)=O)C(OCC(C)C)=O |