| SpectraBase Compound ID | LVvVZDLNzmJ |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-11(2)9-17(13(4)18)12(3)7-14-5-6-15-16(8-14)20-10-19-15/h5-6,8,11-12H,7,9-10H2,1-4H3 |
| InChIKey | ILWDDMPQQCBTAP-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 | CuTWtgSqKP7 |
|---|---|
| Name | N-iso-Butyl-methylenedioxyamphetamine ac |
| 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/c1-11(2)9-17(13(4)18)12(3)7-14-5-6-15-16(8-14)20-10-19-15/h5-6,8,11-12H,7,9-10H2,1-4H3 |
| InChIKey | ILWDDMPQQCBTAP-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC(CC(N(C(=O)C)CC(C)C)C)=CC2)OCO1 |