| SpectraBase Compound ID | 8RGEPBQNF4Z |
|---|---|
| InChI | InChI=1S/C14H18F3NO3/c1-4-18(13(20)14(15,16)17)9(2)7-10-5-6-11(19)12(8-10)21-3/h5-6,8-9,19H,4,7H2,1-3H3 |
| InChIKey | LFJYWLHJWMGPOL-UHFFFAOYSA-N |
| Mol Weight | 305.3 g/mol |
| Molecular Formula | C14H18F3NO3 |
| Exact Mass | 305.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BlFelNSKajn |
|---|---|
| Name | Mdea-m (demethylenyl-methyl-) tfa @P936 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.123877930 u |
| Formula | C14H18F3NO3 |
| InChI | InChI=1S/C14H18F3NO3/c1-4-18(13(20)14(15,16)17)9(2)7-10-5-6-11(19)12(8-10)21-3/h5-6,8-9,19H,4,7H2,1-3H3 |
| InChIKey | LFJYWLHJWMGPOL-UHFFFAOYSA-N |
| Molecular Weight | 305.297 g/mol |
| SMILES | C1=CC(=CC(=C1O)OC)CC(C)N(CC)C(C(F)(F)F)=O |