| SpectraBase Compound ID | HzscSEytmZC |
|---|---|
| InChI | InChI=1S/C21H19NO/c1-15-20(16(2)23)19(14-13-17-9-5-3-6-10-17)21(22-15)18-11-7-4-8-12-18/h3-14,22H,1-2H3/b14-13+ |
| InChIKey | JFEGNTMDIUGWBR-BUHFOSPRSA-N |
| Mol Weight | 301.39 g/mol |
| Molecular Formula | C21H19NO |
| Exact Mass | 301.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrqHvTuDMIz |
|---|---|
| Name | Pyrrole, 4-acetyl-5-methyl-2-phenyl-3-trans-styryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.146664235 u |
| Formula | C21H19NO |
| InChI | InChI=1S/C21H19NO/c1-15-20(16(2)23)19(14-13-17-9-5-3-6-10-17)21(22-15)18-11-7-4-8-12-18/h3-14,22H,1-2H3/b14-13+ |
| InChIKey | JFEGNTMDIUGWBR-BUHFOSPRSA-N |
| SMILES | C1=CC=CC(=C1)C1=C(C(=C(C)N1)C(C)=O)\C=C\C1=CC=CC=C1 |