| SpectraBase Compound ID | 3IFSJSWbFDT |
|---|---|
| InChI | InChI=1S/C14H16F5NO2/c1-3-20(11-6-4-5-10(2)9-11)7-8-22-12(21)13(15,16)14(17,18)19/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | YPTCRXCWUSFWBX-UHFFFAOYSA-N |
| Mol Weight | 325.28 g/mol |
| Molecular Formula | C14H16F5NO2 |
| Exact Mass | 325.11012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsnMLTo9pdV |
|---|---|
| Name | 2-(N-Ethyl-N-tolylamino)ethanol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.110119572 u |
| Formula | C14H16F5NO2 |
| InChI | InChI=1S/C14H16F5NO2/c1-3-20(11-6-4-5-10(2)9-11)7-8-22-12(21)13(15,16)14(17,18)19/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | YPTCRXCWUSFWBX-UHFFFAOYSA-N |
| Molecular Weight | 325.279 g/mol |
| SMILES | C1=C(C=CC=C1N(CCOC(C(C(F)(F)F)(F)F)=O)CC)C |