| SpectraBase Compound ID | 3BxaZLlT8uE |
|---|---|
| InChI | InChI=1S/C22H25NO2/c1-5-16-17-13-21(24-3)22(25-4)14-18(17)20(23-19(16)6-2)12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3 |
| InChIKey | IMMANYBGJAWKHN-UHFFFAOYSA-N |
| Mol Weight | 335.45 g/mol |
| Molecular Formula | C22H25NO2 |
| Exact Mass | 335.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hg0SUPPa1KO |
|---|---|
| Name | 4-Ethylmoxaverine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.188529047 u |
| Formula | C22H25NO2 |
| InChI | InChI=1S/C22H25NO2/c1-5-16-17-13-21(24-3)22(25-4)14-18(17)20(23-19(16)6-2)12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3 |
| InChIKey | IMMANYBGJAWKHN-UHFFFAOYSA-N |
| Molecular Weight | 335.447 g/mol |
| SMILES | C=12C(C(=NC(=C2CC)CC)CC2=CC=CC=C2)=CC(OC)=C(C1)OC |