| SpectraBase Compound ID | JPAb2jWRpc3 |
|---|---|
| InChI | InChI=1S/C17H15NO/c19-15-8-5-13(6-9-15)7-10-17-16-4-2-1-3-14(16)11-12-18-17/h1-6,8-9,11-12,19H,7,10H2 |
| InChIKey | YURRWYHJQMHUMQ-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C17H15NO |
| Exact Mass | 249.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3taFLdzWT0k |
|---|---|
| Name | 1-(4-Hydroxyphenethyl)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.115364106 u |
| Formula | C17H15NO |
| InChI | InChI=1S/C17H15NO/c19-15-8-5-13(6-9-15)7-10-17-16-4-2-1-3-14(16)11-12-18-17/h1-6,8-9,11-12,19H,7,10H2 |
| InChIKey | YURRWYHJQMHUMQ-UHFFFAOYSA-N |
| Molecular Weight | 249.313 g/mol |
| SMILES | C1=2C(=CC=CC2)C(=NC=C1)CCC1=CC=C(C=C1)O |