| SpectraBase Compound ID | FRWKkIu4wCf |
|---|---|
| InChI | InChI=1S/C12H10F3NO4/c1-20-9(17)7-16(11(19)12(13,14)15)10(18)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | YLZQQYRURODJNI-UHFFFAOYSA-N |
| Mol Weight | 289.21 g/mol |
| Molecular Formula | C12H10F3NO4 |
| Exact Mass | 289.056192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNMratLqM1C |
|---|---|
| Name | Methyl hippurate, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.056192291 u |
| Formula | C12H10F3NO4 |
| InChI | InChI=1S/C12H10F3NO4/c1-20-9(17)7-16(11(19)12(13,14)15)10(18)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | YLZQQYRURODJNI-UHFFFAOYSA-N |
| Molecular Weight | 289.210 g/mol |
| SMILES | C1(=CC=CC=C1)C(N(CC(OC)=O)C(C(F)(F)F)=O)=O |