| SpectraBase Compound ID | EiOvWiic0nL |
|---|---|
| InChI | InChI=1S/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16) |
| InChIKey | REIPZLFZMOQHJT-UHFFFAOYSA-N |
| Mol Weight | 255.63 g/mol |
| Molecular Formula | C11H7ClFNO3 |
| Exact Mass | 255.009849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JbwMl6o7TA |
|---|---|
| Name | Fcimic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.009848949 u |
| Formula | C11H7ClFNO3 |
| InChI | InChI=1S/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16) |
| InChIKey | REIPZLFZMOQHJT-UHFFFAOYSA-N |
| Molecular Weight | 255.632 g/mol |
| SMILES | C1(=CC=CC(=C1C1=NOC(C)=C1C(=O)O)Cl)F |