| SpectraBase Compound ID | 2WfURb4Difh |
|---|---|
| InChI | InChI=1S/C12H9F6NO3/c13-11(14,15)9(20)19-6-5-7-3-1-2-4-8(7)22-10(21)12(16,17)18/h1-4H,5-6H2,(H,19,20) |
| InChIKey | HHYDREDCSXOJEJ-UHFFFAOYSA-N |
| Mol Weight | 329.2 g/mol |
| Molecular Formula | C12H9F6NO3 |
| Exact Mass | 329.048662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrVkURwplCb |
|---|---|
| Name | 2-(2-Hydroxyphenyl)ethylamine, di-tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.048662129 u |
| Formula | C12H9F6NO3 |
| InChI | InChI=1S/C12H9F6NO3/c13-11(14,15)9(20)19-6-5-7-3-1-2-4-8(7)22-10(21)12(16,17)18/h1-4H,5-6H2,(H,19,20) |
| InChIKey | HHYDREDCSXOJEJ-UHFFFAOYSA-N |
| Molecular Weight | 329.198 g/mol |
| SMILES | C1=C(C(=CC=C1)CCNC(=O)C(F)(F)F)OC(=O)C(F)(F)F |