| SpectraBase Compound ID | HJFcSnRvPPk |
|---|---|
| InChI | InChI=1S/C13H12F5NO3/c1-7(19-11(20)12(14,15)13(16,17)18)4-8-2-3-9-10(5-8)22-6-21-9/h2-3,5,7H,4,6H2,1H3,(H,19,20) |
| InChIKey | OBEKTRYIHVUBIZ-UHFFFAOYSA-N |
| Mol Weight | 325.24 g/mol |
| Molecular Formula | C13H12F5NO3 |
| Exact Mass | 325.073734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1q4BGIzVOnm |
|---|---|
| Name | (.+/-.)-3,4-methylenedioxyamphetamine, N-pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.073734062 u |
| Formula | C13H12F5NO3 |
| InChI | InChI=1S/C13H12F5NO3/c1-7(19-11(20)12(14,15)13(16,17)18)4-8-2-3-9-10(5-8)22-6-21-9/h2-3,5,7H,4,6H2,1H3,(H,19,20) |
| InChIKey | OBEKTRYIHVUBIZ-UHFFFAOYSA-N |
| Molecular Weight | 325.235 g/mol |
| SMILES | C1(=CC=C2C(=C1)OCO2)CC(C)NC(C(F)(F)C(F)(F)F)=O |