| SpectraBase Compound ID | LQDmkGhR9vx |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-2-10-22-17(21)12-6-8-14(9-7-12)18-11-13-4-3-5-15(19)16(13)20/h3-9,11,19-20H,2,10H2,1H3/b18-11+ |
| InChIKey | BLUHPTWPQPDHHB-WOJGMQOQSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ubsEjGLXZa |
|---|---|
| Name | Benzoic acid, 4-(2,3-dihydroxybenzylidenamino)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c1-2-10-22-17(21)12-6-8-14(9-7-12)18-11-13-4-3-5-15(19)16(13)20/h3-9,11,19-20H,2,10H2,1H3/b18-11+ |
| InChIKey | BLUHPTWPQPDHHB-WOJGMQOQSA-N |
| SMILES | C1=CC(=CC=C1\N=C\C1=CC=CC(=C1O)O)C(OCCC)=O |