| SpectraBase Compound ID | AcEq8WRtJoO |
|---|---|
| InChI | InChI=1S/C13H10F3NO3/c1-9(18)20-8-4-6-10-5-2-3-7-11(10)17-12(19)13(14,15)16/h2-3,5,7H,8H2,1H3,(H,17,19) |
| InChIKey | RGSXMDCPZLNABO-UHFFFAOYSA-N |
| Mol Weight | 285.22 g/mol |
| Molecular Formula | C13H10F3NO3 |
| Exact Mass | 285.061278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pFr4MTeObi |
|---|---|
| Name | 3-(Ortho-trifluoroacetamidophenyl)-1-propargylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.061277672 u |
| Formula | C13H10F3NO3 |
| InChI | InChI=1S/C13H10F3NO3/c1-9(18)20-8-4-6-10-5-2-3-7-11(10)17-12(19)13(14,15)16/h2-3,5,7H,8H2,1H3,(H,17,19) |
| InChIKey | RGSXMDCPZLNABO-UHFFFAOYSA-N |
| Molecular Weight | 285.222 g/mol |
| SMILES | C1(NC(=O)C(F)(F)F)=C(C#CCOC(=O)C)C=CC=C1 |