![N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1-propanaminium](/api/spectrum/Br6x6rwDiYa/structure.png?h=300&w=458 "N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1-propanaminium")
| SpectraBase Compound ID | 5zG1y8KE8NA |
|---|---|
| InChI | InChI=1S/C19H25NO2/c1-21-18-11-10-17(15-19(18)22-2)12-14-20-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,20H,6,9,12-14H2,1-2H3/p+1 |
| InChIKey | GTEYNEDCBSUSEC-UHFFFAOYSA-O |
| Mol Weight | 300.42 g/mol |
| Molecular Formula | C19H26NO2 |
| Exact Mass | 300.196354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Br6x6rwDiYa |
|---|---|
| Name | N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-phenyl-1-propanaminium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.196354079 u |
| Formula | C19H26NO2 |
| InChI | InChI=1S/C19H25NO2/c1-21-18-11-10-17(15-19(18)22-2)12-14-20-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,20H,6,9,12-14H2,1-2H3/p+1 |
| InChIKey | GTEYNEDCBSUSEC-UHFFFAOYSA-O |
| SMILES | C=1(C(=CC=C(C1)CC[NH2+]CCCC=1C=CC=CC1)OC)OC |