| SpectraBase Compound ID | CUqnRUoJBBO |
|---|---|
| InChI | InChI=1S/C13H14F3NO2/c1-9-11(10-5-3-2-4-6-10)19-8-7-17(9)12(18)13(14,15)16/h2-6,9,11H,7-8H2,1H3 |
| InChIKey | YCPBSODSZPUBJJ-UHFFFAOYSA-N |
| Mol Weight | 273.26 g/mol |
| Molecular Formula | C13H14F3NO2 |
| Exact Mass | 273.097663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LiUDYnRTfa |
|---|---|
| Name | Phenmetrazine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.097663182 u |
| Formula | C13H14F3NO2 |
| InChI | InChI=1S/C13H14F3NO2/c1-9-11(10-5-3-2-4-6-10)19-8-7-17(9)12(18)13(14,15)16/h2-6,9,11H,7-8H2,1H3 |
| InChIKey | YCPBSODSZPUBJJ-UHFFFAOYSA-N |
| Molecular Weight | 273.255 g/mol |
| SMILES | C1(C(N(C(C(F)(F)F)=O)CCO1)C)C=1C=CC=CC1 |