| SpectraBase Compound ID | Gxf5eZTFSYl |
|---|---|
| InChI | InChI=1S/C22H23NO2/c1-3-4-15-23-20(17-11-7-5-8-12-17)16-19(22(24)25-2)21(23)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3 |
| InChIKey | CNIVSLHXDPUXQZ-UHFFFAOYSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C22H23NO2 |
| Exact Mass | 333.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vFN43GzTzt |
|---|---|
| Name | Methyl 1-butyl-2,5-diphenylpyrrole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.172878983 u |
| Formula | C22H23NO2 |
| InChI | InChI=1S/C22H23NO2/c1-3-4-15-23-20(17-11-7-5-8-12-17)16-19(22(24)25-2)21(23)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3 |
| InChIKey | CNIVSLHXDPUXQZ-UHFFFAOYSA-N |
| Molecular Weight | 333.431 g/mol |
| SMILES | C=1(N(C(=CC1C(=O)OC)C=1C=CC=CC1)CCCC)C=1C=CC=CC1 |