| SpectraBase Compound ID | J64FcsEw6BW |
|---|---|
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h1-3H,4H2,(H,14,15) |
| InChIKey | PZNZKQDJXMHRPL-UHFFFAOYSA-N |
| Mol Weight | 221.14 g/mol |
| Molecular Formula | C8H6F3NO3 |
| Exact Mass | 221.029978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ik8d6JaHwA5 |
|---|---|
| Name | 1-Pyridineacetic acid, 1,2-dihydro-2-oxo-5-(trifluoromethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.029977543 u |
| Formula | C8H6F3NO3 |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h1-3H,4H2,(H,14,15) |
| InChIKey | PZNZKQDJXMHRPL-UHFFFAOYSA-N |
| Molecular Weight | 221.135 g/mol |
| SMILES | OC(CN1C=C(C(F)(F)F)C=CC1=O)=O |