| SpectraBase Compound ID | BfTvCDYESjy |
|---|---|
| InChI | InChI=1S/C18H15NO2/c1-21-18(20)15-12-16(13-8-4-2-5-9-13)19-17(15)14-10-6-3-7-11-14/h2-12,19H,1H3 |
| InChIKey | UPZJGSZBWHUZCK-UHFFFAOYSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C18H15NO2 |
| Exact Mass | 277.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5pdY8lDmjx |
|---|---|
| Name | 2,5-Diphenyl-1H-pyrrole-3-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.110278725 u |
| Formula | C18H15NO2 |
| InChI | InChI=1S/C18H15NO2/c1-21-18(20)15-12-16(13-8-4-2-5-9-13)19-17(15)14-10-6-3-7-11-14/h2-12,19H,1H3 |
| InChIKey | UPZJGSZBWHUZCK-UHFFFAOYSA-N |
| SMILES | COC(=O)C=1C=C(NC1C1=CC=CC=C1)C1=CC=CC=C1 |