| SpectraBase Compound ID | 7qKfXB0lhVw |
|---|---|
| InChI | InChI=1S/C14H12N2O/c1-9-14-12(7-8-15-9)11-5-3-4-6-13(11)16(14)10(2)17/h3-8H,1-2H3 |
| InChIKey | KWBSWOSBZDTHGO-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C14H12N2O |
| Exact Mass | 224.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBqDAzonR8T |
|---|---|
| Name | Harmane, N-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.094963013 u |
| Formula | C14H12N2O |
| InChI | InChI=1S/C14H12N2O/c1-9-14-12(7-8-15-9)11-5-3-4-6-13(11)16(14)10(2)17/h3-8H,1-2H3 |
| InChIKey | KWBSWOSBZDTHGO-UHFFFAOYSA-N |
| Molecular Weight | 224.263 g/mol |
| SMILES | C1=2N(C3=C(C1=CC=NC2C)C=CC=C3)C(=O)C |