| SpectraBase Compound ID | 9ytaPgVMFyj |
|---|---|
| InChI | InChI=1S/C11H6F3NO3/c12-11(13,14)10(17)15-7-5-6-3-1-2-4-8(6)18-9(7)16/h1-5H,(H,15,17) |
| InChIKey | AHJUDOZWDANBOF-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C11H6F3NO3 |
| Exact Mass | 257.029978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8X42p9zmpe4 |
|---|---|
| Name | 3-Aminocoumarin, N-(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.029977543 u |
| Formula | C11H6F3NO3 |
| InChI | InChI=1S/C11H6F3NO3/c12-11(13,14)10(17)15-7-5-6-3-1-2-4-8(6)18-9(7)16/h1-5H,(H,15,17) |
| InChIKey | AHJUDOZWDANBOF-UHFFFAOYSA-N |
| Molecular Weight | 257.168 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(=O)C(=C2)NC(C(F)(F)F)=O |