| SpectraBase Compound ID | 88S2brsygRY |
|---|---|
| InChI | InChI=1S/C21H18N2O2/c1-14(24)20-21-19(18(25-2)12-22-20)16-10-6-7-11-17(16)23(21)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3 |
| InChIKey | NMTQRVCNQCKXNI-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C21H18N2O2 |
| Exact Mass | 330.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4DdvnjqfBO |
|---|---|
| Name | 1-Acetyl-9-benzyl-4-methoxy-.beta.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.136827826 u |
| Formula | C21H18N2O2 |
| InChI | InChI=1S/C21H18N2O2/c1-14(24)20-21-19(18(25-2)12-22-20)16-10-6-7-11-17(16)23(21)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3 |
| InChIKey | NMTQRVCNQCKXNI-UHFFFAOYSA-N |
| Molecular Weight | 330.387 g/mol |
| SMILES | C1=2N(C3=C(C2C(OC)=CN=C1C(=O)C)C=CC=C3)CC1=CC=CC=C1 |