| SpectraBase Compound ID | I6R2qlWtuOx |
|---|---|
| InChI | InChI=1S/C16H16N2O3/c1-9-16-14(6-7-17-9)13-5-4-12(21-11(3)20)8-15(13)18(16)10(2)19/h4-5,8H,6-7H2,1-3H3 |
| InChIKey | XXQZGMLIGVLBKD-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C16H16N2O3 |
| Exact Mass | 284.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIhbMxNo8jZ |
|---|---|
| Name | Harmalol, N,o-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.116092380 u |
| Formula | C16H16N2O3 |
| InChI | InChI=1S/C16H16N2O3/c1-9-16-14(6-7-17-9)13-5-4-12(21-11(3)20)8-15(13)18(16)10(2)19/h4-5,8H,6-7H2,1-3H3 |
| InChIKey | XXQZGMLIGVLBKD-UHFFFAOYSA-N |
| SMILES | C=12N(C3=C(C1CCN=C2C)C=CC(=C3)OC(=O)C)C(=O)C |