| SpectraBase Compound ID | 9u1XGrk1BTt |
|---|---|
| InChI | InChI=1S/C20H25NO3/c1-4-5-15-6-9-17(10-7-15)20(22)21-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22) |
| InChIKey | QZLKXHPJZYPUJB-UHFFFAOYSA-N |
| Mol Weight | 327.42 g/mol |
| Molecular Formula | C20H25NO3 |
| Exact Mass | 327.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Getekw718hH |
|---|---|
| Name | 3,4-Dimethoxyphenethylamine 4-propylbenzoyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.183443666 u |
| Formula | C20H25NO3 |
| InChI | InChI=1S/C20H25NO3/c1-4-5-15-6-9-17(10-7-15)20(22)21-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22) |
| InChIKey | QZLKXHPJZYPUJB-UHFFFAOYSA-N |
| Molecular Weight | 327.424 g/mol |
| SMILES | C=1(C(NCCC2=CC(=C(C=C2)OC)OC)=O)C=CC(=CC1)CCC |