| SpectraBase Compound ID | CVute7TIqVW |
|---|---|
| InChI | InChI=1S/C19H31NO2/c1-4-6-8-12-20(11-7-5-2)16(3)13-17-9-10-18-19(14-17)22-15-21-18/h9-10,14,16H,4-8,11-13,15H2,1-3H3 |
| InChIKey | OABPCRGAUOLQBI-UHFFFAOYSA-N |
| Mol Weight | 305.46 g/mol |
| Molecular Formula | C19H31NO2 |
| Exact Mass | 305.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7d0dj4SUXuS |
|---|---|
| Name | N-Butyl-N-pentyl-3,4-methylenedioxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.235479240 u |
| Formula | C19H31NO2 |
| InChI | InChI=1S/C19H31NO2/c1-4-6-8-12-20(11-7-5-2)16(3)13-17-9-10-18-19(14-17)22-15-21-18/h9-10,14,16H,4-8,11-13,15H2,1-3H3 |
| InChIKey | OABPCRGAUOLQBI-UHFFFAOYSA-N |
| Molecular Weight | 305.462 g/mol |
| SMILES | C1=2C(=CC(CC(N(CCCCC)CCCC)C)=CC2)OCO1 |