| SpectraBase Compound ID | IEXlgGDxNwp |
|---|---|
| InChI | InChI=1S/C14H18N2O2/c1-8-14-9(4-5-15-8)10-6-12(17-2)13(18-3)7-11(10)16-14/h6-8,15-16H,4-5H2,1-3H3/t8-/m1/s1 |
| InChIKey | KDSRVLWGJOIMHP-MRVPVSSYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C14H18N2O2 |
| Exact Mass | 246.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fh7O1PkYg6x |
|---|---|
| Name | 1,2,3,4-Tetrahydro-roeharmine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.136827826 u |
| Formula | C14H18N2O2 |
| InChI | InChI=1S/C14H18N2O2/c1-8-14-9(4-5-15-8)10-6-12(17-2)13(18-3)7-11(10)16-14/h6-8,15-16H,4-5H2,1-3H3/t8-/m1/s1 |
| InChIKey | KDSRVLWGJOIMHP-MRVPVSSYSA-N |
| Molecular Weight | 246.310 g/mol |
| SMILES | C1=2NC3=CC(OC)=C(C=C3C2CCN[C@@]1(C)[H])OC |