| SpectraBase Compound ID | 5yVpP0d3Um0 |
|---|---|
| InChI | InChI=1S/C13H11F6NO3/c1-7(20-10(21)12(14,15)16)9(8-5-3-2-4-6-8)23-11(22)13(17,18)19/h2-7,9H,1H3,(H,20,21)/t7-,9+/m1/s1 |
| InChIKey | VSZCSWDPWCOEJD-APPZFPTMSA-N |
| Mol Weight | 343.23 g/mol |
| Molecular Formula | C13H11F6NO3 |
| Exact Mass | 343.064312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jc5eNfnkqN8 |
|---|---|
| Name | Norephedrine 2tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.064312193 u |
| Formula | C13H11F6NO3 |
| InChI | InChI=1S/C13H11F6NO3/c1-7(20-10(21)12(14,15)16)9(8-5-3-2-4-6-8)23-11(22)13(17,18)19/h2-7,9H,1H3,(H,20,21)/t7-,9+/m1/s1 |
| InChIKey | VSZCSWDPWCOEJD-APPZFPTMSA-N |
| Molecular Weight | 343.225 g/mol |
| SMILES | [C@@]([C@](NC(C(F)(F)F)=O)(C)[H])(C1=CC=CC=C1)(OC(C(F)(F)F)=O)[H] |