| SpectraBase Compound ID | J8fuiC1Gw1F |
|---|---|
| InChI | InChI=1S/C14H15F3N2O/c1-8-3-4-12-11(5-8)10(7-18-12)6-9(2)19-13(20)14(15,16)17/h3-5,7,9,18H,6H2,1-2H3,(H,19,20) |
| InChIKey | GXZPLEUMSXXXMY-UHFFFAOYSA-N |
| Mol Weight | 284.28 g/mol |
| Molecular Formula | C14H15F3N2O |
| Exact Mass | 284.113648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ID7JIJpmTq1 |
|---|---|
| Name | 5-me-amt tfa P802 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.113647599 u |
| Formula | C14H15F3N2O |
| InChI | InChI=1S/C14H15F3N2O/c1-8-3-4-12-11(5-8)10(7-18-12)6-9(2)19-13(20)14(15,16)17/h3-5,7,9,18H,6H2,1-2H3,(H,19,20) |
| InChIKey | GXZPLEUMSXXXMY-UHFFFAOYSA-N |
| Molecular Weight | 284.282 g/mol |
| SMILES | C=1(C=C2C(CC(NC(=O)C(F)(F)F)C)=CNC2=CC1)C |