| SpectraBase Compound ID | 789Nut4f74j |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-7H,8H2,1H3 |
| InChIKey | OGVLKYKVZIKHLK-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmOI9NqevU0 |
|---|---|
| Name | 2-(1-Isoquinolinyl)acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-7H,8H2,1H3 |
| InChIKey | OGVLKYKVZIKHLK-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C1(CC(=O)OC)=NC=CC2=C1C=CC=C2 |