| SpectraBase Compound ID | emD0VId0Bb |
|---|---|
| InChI | InChI=1S/C15H18F3NO2/c1-3-8-12(13(20)11-9-6-5-7-10-11)19(4-2)14(21)15(16,17)18/h5-7,9-10,12H,3-4,8H2,1-2H3 |
| InChIKey | VEPKBNDRHULGNT-UHFFFAOYSA-N |
| Mol Weight | 301.31 g/mol |
| Molecular Formula | C15H18F3NO2 |
| Exact Mass | 301.128963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G06r9oWhMlr |
|---|---|
| Name | N-Ethylnorpentedrone tfa derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.128963311 u |
| Formula | C15H18F3NO2 |
| InChI | InChI=1S/C15H18F3NO2/c1-3-8-12(13(20)11-9-6-5-7-10-11)19(4-2)14(21)15(16,17)18/h5-7,9-10,12H,3-4,8H2,1-2H3 |
| InChIKey | VEPKBNDRHULGNT-UHFFFAOYSA-N |
| Molecular Weight | 301.309 g/mol |
| SMILES | C(F)(F)(F)C(N(C(C(C=1C=CC=CC1)=O)CCC)CC)=O |