| SpectraBase Compound ID | L4Bz7Lxqi4M |
|---|---|
| InChI | InChI=1S/C13H9F5N2O2/c1-20-3-6(19-5-20)2-8(21)22-4-7-9(14)11(16)13(18)12(17)10(7)15/h3,5H,2,4H2,1H3 |
| InChIKey | LIOQZHJIGGIVKG-UHFFFAOYSA-N |
| Mol Weight | 320.22 g/mol |
| Molecular Formula | C13H9F5N2O2 |
| Exact Mass | 320.058418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgxnlLK82pr |
|---|---|
| Name | 1-Methylimidazol-4-acetic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.058418351 u |
| Formula | C13H9F5N2O2 |
| InChI | InChI=1S/C13H9F5N2O2/c1-20-3-6(19-5-20)2-8(21)22-4-7-9(14)11(16)13(18)12(17)10(7)15/h3,5H,2,4H2,1H3 |
| InChIKey | LIOQZHJIGGIVKG-UHFFFAOYSA-N |
| Molecular Weight | 320.219 g/mol |
| SMILES | C=1N(C=C(N1)CC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C |