| SpectraBase Compound ID | 4kGjkkflPsx |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-21-16-11-13-9-10-19-15(14(13)12-17(16)22-2)7-5-4-6-8-18(20)23-3/h11-12H,4-10H2,1-3H3 |
| InChIKey | JGYRSLZNSZOTDX-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lc1vRoNMDig |
|---|---|
| Name | 1-Isoquinolinehexanoic acid, 3,4-dihydro-6,7-dimethoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-21-16-11-13-9-10-19-15(14(13)12-17(16)22-2)7-5-4-6-8-18(20)23-3/h11-12H,4-10H2,1-3H3 |
| InChIKey | JGYRSLZNSZOTDX-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C1=2C=C(OC)C(=CC2CCN=C1CCCCCC(=O)OC)OC |