| SpectraBase Compound ID | 8yz57w9PwEB |
|---|---|
| InChI | InChI=1S/C15H12F3NO4/c1-8-10(13(20)22-2)12(23-14(21)15(16,17)18)11(19-8)9-6-4-3-5-7-9/h3-7,19H,1-2H3 |
| InChIKey | ILGDBZQOSQBZKB-UHFFFAOYSA-N |
| Mol Weight | 327.26 g/mol |
| Molecular Formula | C15H12F3NO4 |
| Exact Mass | 327.071842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iypl9glM2o6 |
|---|---|
| Name | 4-Methoxycarbonyl-5-methyl-2-phenyl-3-trifuoroacetoxypyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.071842355 u |
| Formula | C15H12F3NO4 |
| InChI | InChI=1S/C15H12F3NO4/c1-8-10(13(20)22-2)12(23-14(21)15(16,17)18)11(19-8)9-6-4-3-5-7-9/h3-7,19H,1-2H3 |
| InChIKey | ILGDBZQOSQBZKB-UHFFFAOYSA-N |
| Molecular Weight | 327.259 g/mol |
| SMILES | C=1(NC(=C(C1OC(=O)C(F)(F)F)C(=O)OC)C)C=1C=CC=CC1 |