| SpectraBase Compound ID | 8DA8qj28sd9 |
|---|---|
| InChI | InChI=1S/C16H25NO2/c1-5-6-12(2)17(4)13(3)9-14-7-8-15-16(10-14)19-11-18-15/h7-8,10,12-13H,5-6,9,11H2,1-4H3 |
| InChIKey | UKURYNMNXYDSKO-UHFFFAOYSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C16H25NO2 |
| Exact Mass | 263.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUvzJm3385Q |
|---|---|
| Name | N-2-Pentyl-3,4-methylenedioxymethamphetamine I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.188529047 u |
| Formula | C16H25NO2 |
| InChI | InChI=1S/C16H25NO2/c1-5-6-12(2)17(4)13(3)9-14-7-8-15-16(10-14)19-11-18-15/h7-8,10,12-13H,5-6,9,11H2,1-4H3 |
| InChIKey | UKURYNMNXYDSKO-UHFFFAOYSA-N |
| Molecular Weight | 263.381 g/mol |
| SMILES | C1=2C(=CC(CC(N(C(CCC)C)C)C)=CC2)OCO1 |