| SpectraBase Compound ID | 4FmG6XcYbDO |
|---|---|
| InChI | InChI=1S/C21H28N2O3/c1-24-19-10-9-18(20(25-2)21(19)26-3)16-23-13-11-22(12-14-23)15-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3 |
| InChIKey | MFWMMGYCBVAYJK-UHFFFAOYSA-N |
| Mol Weight | 356.47 g/mol |
| Molecular Formula | C21H28N2O3 |
| Exact Mass | 356.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5keEk1RAFo |
|---|---|
| Name | 1-Benzyl-4-(2,3,4-trimethoxy-benzyl)-piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.209992767 u |
| Formula | C21H28N2O3 |
| InChI | InChI=1S/C21H28N2O3/c1-24-19-10-9-18(20(25-2)21(19)26-3)16-23-13-11-22(12-14-23)15-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3 |
| InChIKey | MFWMMGYCBVAYJK-UHFFFAOYSA-N |
| Molecular Weight | 356.466 g/mol |
| SMILES | C(N1CCN(CC2=C(OC)C(OC)=C(C=C2)OC)CC1)C1=CC=CC=C1 |