| SpectraBase Compound ID | 9Aasu1O8hTw |
|---|---|
| InChI | InChI=1S/C18H15NO4/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)18(21)11-3-5-13(20)6-4-11/h3-10,20H,1-2H3 |
| InChIKey | CTRLMRARHONVBH-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C18H15NO4 |
| Exact Mass | 309.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1a1wBDNIENA |
|---|---|
| Name | 1-(4-Hydroxybenzoyl)-6,7-dimethoxyisoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.100107963 u |
| Formula | C18H15NO4 |
| InChI | InChI=1S/C18H15NO4/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)18(21)11-3-5-13(20)6-4-11/h3-10,20H,1-2H3 |
| InChIKey | CTRLMRARHONVBH-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)O)C(C1=NC=CC2=C1C=C(C(OC)=C2)OC)=O |