![3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-[(4-methoxyphenyl)methyl]-1-oxo-](/api/spectrum/FyIrbrOCalZ/structure.png?h=300&w=458 "3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-[(4-methoxyphenyl)methyl]-1-oxo-")
| SpectraBase Compound ID | 1V8cccoS7ZH |
|---|---|
| InChI | InChI=1S/C18H15NO4/c1-23-14-8-6-12(7-9-14)11-19-16(18(21)22)10-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3,(H,21,22) |
| InChIKey | GAKQTFPAOMVFQP-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 | FyIrbrOCalZ |
|---|---|
| Name | 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-[(4-methoxyphenyl)methyl]-1-oxo- |
| 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/c1-23-14-8-6-12(7-9-14)11-19-16(18(21)22)10-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3,(H,21,22) |
| InChIKey | GAKQTFPAOMVFQP-UHFFFAOYSA-N |
| SMILES | OC(C=1N(C(C=2C(=CC=CC2)C1)=O)CC=1C=CC(=CC1)OC)=O |