| SpectraBase Compound ID | EByv4IXOYqy |
|---|---|
| InChI | InChI=1S/C21H23N3O/c1-13-18-12-22-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)23-21)25-10-9-24(3)4/h5-8,11-12,23H,9-10H2,1-4H3 |
| InChIKey | FGFDMBHOYCMKEJ-UHFFFAOYSA-N |
| Mol Weight | 333.44 g/mol |
| Molecular Formula | C21H23N3O |
| Exact Mass | 333.184112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEL5saxnTAK |
|---|---|
| Name | Ellipticine, 9-(dimethylamino)ethyloxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.184112372 u |
| Formula | C21H23N3O |
| InChI | InChI=1S/C21H23N3O/c1-13-18-12-22-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)23-21)25-10-9-24(3)4/h5-8,11-12,23H,9-10H2,1-4H3 |
| InChIKey | FGFDMBHOYCMKEJ-UHFFFAOYSA-N |
| Molecular Weight | 333.435 g/mol |
| SMILES | C12=C(C=C(C=C2)OCCN(C)C)C2=C(C3=CN=CC=C3C(=C2N1)C)C |