| SpectraBase Compound ID | HEdCDFrtsLs |
|---|---|
| InChI | InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16) |
| InChIKey | MDDVOSSRTNAXHJ-UHFFFAOYSA-N |
| Mol Weight | 247.17 g/mol |
| Molecular Formula | C10H8F3NO3 |
| Exact Mass | 247.045628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IC16vSC4XHS |
|---|---|
| Name | Methyl N-trifluoroacetylaminobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.045627608 u |
| Formula | C10H8F3NO3 |
| InChI | InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16) |
| InChIKey | MDDVOSSRTNAXHJ-UHFFFAOYSA-N |
| Molecular Weight | 247.173 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)NC(C(F)(F)F)=O |