![2-Chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone](/api/spectrum/Q8VJIk8Gxy/structure.png?h=300&w=458 "2-Chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone")
| SpectraBase Compound ID | 6HgZk4rEN3y |
|---|---|
| InChI | InChI=1S/C14H13ClFNO/c1-9-7-13(14(18)8-15)10(2)17(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3 |
| InChIKey | QNHMSVXIWDSTEP-UHFFFAOYSA-N |
| Mol Weight | 265.72 g/mol |
| Molecular Formula | C14H13ClFNO |
| Exact Mass | 265.06697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Q8VJIk8Gxy |
|---|---|
| Name | 2-Chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.066969905 u |
| Formula | C14H13ClFNO |
| InChI | InChI=1S/C14H13ClFNO/c1-9-7-13(14(18)8-15)10(2)17(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3 |
| InChIKey | QNHMSVXIWDSTEP-UHFFFAOYSA-N |
| Molecular Weight | 265.715 g/mol |
| SMILES | C1(F)=CC=C(C=C1)N1C(=C(C=C1C)C(=O)CCl)C |