| SpectraBase Compound ID | DTzox6IPAbR |
|---|---|
| InChI | InChI=1S/C17H15NO3/c1-18-15(11-7-3-2-4-8-11)14(17(20)21)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,1H3,(H,20,21) |
| InChIKey | BLTJXHMXPMPPBX-UHFFFAOYSA-N |
| Mol Weight | 281.31 g/mol |
| Molecular Formula | C17H15NO3 |
| Exact Mass | 281.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkIazsdRw0i |
|---|---|
| Name | 2-Methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.105193344 u |
| Formula | C17H15NO3 |
| InChI | InChI=1S/C17H15NO3/c1-18-15(11-7-3-2-4-8-11)14(17(20)21)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,1H3,(H,20,21) |
| InChIKey | BLTJXHMXPMPPBX-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(N(C)C(C2C(O)=O)C1=CC=CC=C1)=O |