| SpectraBase Compound ID | 7Ply0fTF0rW |
|---|---|
| InChI | InChI=1S/C14H13ClFNO/c1-9-6-13(14(18)8-15)10(2)17(9)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3 |
| InChIKey | UMSNWZWJTFGFSJ-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 | EFNllyuwwJ |
|---|---|
| Name | 2-Chloro-1-(1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one |
| 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/c1-9-6-13(14(18)8-15)10(2)17(9)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3 |
| InChIKey | UMSNWZWJTFGFSJ-UHFFFAOYSA-N |
| Molecular Weight | 265.715 g/mol |
| SMILES | CC=1N(C(C)=CC1C(CCl)=O)C1=CC(F)=CC=C1 |