| SpectraBase Compound ID | 4naKbKkPGR0 |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-22-18(21)10-4-2-3-8-15(20)13-17-16-9-6-5-7-14(16)11-12-19-17/h5-7,9,11-12,15,20H,2-3,8,13H2,1H3 |
| InChIKey | TYBCNXWFPNTRBX-UHFFFAOYSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jh2pErpjZrH |
|---|---|
| Name | Methyl 7-hydroxy-8-isoquinoln-1-yloct-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-22-18(21)10-4-2-3-8-15(20)13-17-16-9-6-5-7-14(16)11-12-19-17/h5-7,9,11-12,15,20H,2-3,8,13H2,1H3 |
| InChIKey | TYBCNXWFPNTRBX-UHFFFAOYSA-N |
| Molecular Weight | 297.354 g/mol |
| SMILES | C1(CC(O)CCCC#CC(=O)OC)=NC=CC=2C1=CC=CC2 |