| SpectraBase Compound ID | 3fVwev7xxw4 |
|---|---|
| InChI | InChI=1S/C14H14F3NO4/c1-3-18(13(20)14(15,16)17)8(2)11(19)9-5-4-6-10-12(9)22-7-21-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | QXAWITLPLPISGQ-UHFFFAOYSA-N |
| Mol Weight | 317.26 g/mol |
| Molecular Formula | C14H14F3NO4 |
| Exact Mass | 317.087492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cps6s8sCAtR |
|---|---|
| Name | 2,3-Ethylone isomer, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.087492420 u |
| Formula | C14H14F3NO4 |
| InChI | InChI=1S/C14H14F3NO4/c1-3-18(13(20)14(15,16)17)8(2)11(19)9-5-4-6-10-12(9)22-7-21-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | QXAWITLPLPISGQ-UHFFFAOYSA-N |
| Molecular Weight | 317.264 g/mol |
| SMILES | C1(=CC=CC2=C1OCO2)C(C(C)N(CC)C(C(F)(F)F)=O)=O |