| SpectraBase Compound ID | 3PICkDFDfQm |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-5-6-16(18)17(3)12(2)9-13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,4-6,9,11H2,1-3H3 |
| InChIKey | PDRHSBSVXYBKIL-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjCs3XcZQE7 |
|---|---|
| Name | N-Methyl-3,4-methylenedioxyamphetamine pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-4-5-6-16(18)17(3)12(2)9-13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,4-6,9,11H2,1-3H3 |
| InChIKey | PDRHSBSVXYBKIL-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=C(C2)CC(N(C(CCCC)=O)C)C)OCO1 |