| SpectraBase Compound ID | BUPjUVOSBM9 |
|---|---|
| InChI | InChI=1S/C18H22N2O/c1-4-5-6-11-20-17-12-14(21-3)7-8-15(17)16-9-10-19-13(2)18(16)20/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | IYOCDYDCSSAFCW-UHFFFAOYSA-N |
| Mol Weight | 282.39 g/mol |
| Molecular Formula | C18H22N2O |
| Exact Mass | 282.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SEj4vsxufO |
|---|---|
| Name | Harmine, N-(N-pentyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.173213335 u |
| Formula | C18H22N2O |
| InChI | InChI=1S/C18H22N2O/c1-4-5-6-11-20-17-12-14(21-3)7-8-15(17)16-9-10-19-13(2)18(16)20/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | IYOCDYDCSSAFCW-UHFFFAOYSA-N |
| SMILES | C1(=CC=C2C(=C1)N(CCCCC)C1=C2C=CN=C1C)OC |