| SpectraBase Compound ID | 4WsY4IThuel |
|---|---|
| InChI | InChI=1S/C15H18F5NO4/c1-8(21-13(22)14(16,17)15(18,19)20)5-9-6-11(24-3)12(25-4)7-10(9)23-2/h6-8H,5H2,1-4H3,(H,21,22) |
| InChIKey | NCEPFUUXWIKRCU-UHFFFAOYSA-N |
| Mol Weight | 371.3 g/mol |
| Molecular Formula | C15H18F5NO4 |
| Exact Mass | 371.115599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfRh2Os9mqm |
|---|---|
| Name | tma-2 P1317 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.115598875 u |
| Formula | C15H18F5NO4 |
| InChI | InChI=1S/C15H18F5NO4/c1-8(21-13(22)14(16,17)15(18,19)20)5-9-6-11(24-3)12(25-4)7-10(9)23-2/h6-8H,5H2,1-4H3,(H,21,22) |
| InChIKey | NCEPFUUXWIKRCU-UHFFFAOYSA-N |
| Molecular Weight | 371.304 g/mol |
| SMILES | C=1(C=C(CC(C)NC(=O)C(F)(F)C(F)(F)F)C(=CC1OC)OC)OC |