| SpectraBase Compound ID | CGrmdcdXeNz |
|---|---|
| InChI | InChI=1S/C11H10F3NO3/c1-15(10(17)11(12,13)14)8-6-4-3-5-7(8)9(16)18-2/h3-6H,1-2H3 |
| InChIKey | UMSDDHCRPPEQCD-UHFFFAOYSA-N |
| Mol Weight | 261.2 g/mol |
| Molecular Formula | C11H10F3NO3 |
| Exact Mass | 261.061278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVekxqEWMEr |
|---|---|
| Name | Methyl 2-aminobenzoate, N-methyl-N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.061277672 u |
| Formula | C11H10F3NO3 |
| InChI | InChI=1S/C11H10F3NO3/c1-15(10(17)11(12,13)14)8-6-4-3-5-7(8)9(16)18-2/h3-6H,1-2H3 |
| InChIKey | UMSDDHCRPPEQCD-UHFFFAOYSA-N |
| Molecular Weight | 261.200 g/mol |
| SMILES | C1(=CC=CC=C1C(OC)=O)N(C(C(F)(F)F)=O)C |