![rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-5-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide](/api/spectrum/4FYpcQdKzel/structure.png?h=300&w=458 "rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-5-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide")
| SpectraBase Compound ID | 1Gn6VUcoVju |
|---|---|
| InChI | InChI=1S/C28H31N3O/c1-20(2)8-7-9-21(3)16-27-25(23-14-12-22(18-29)13-15-23)17-26(31(27)19-28(30)32)24-10-5-4-6-11-24/h4-6,8,10-15,17,21H,7,9,16,19H2,1-3H3,(H2,30,32) |
| InChIKey | JIXZPRLSBJDLJN-UHFFFAOYSA-N |
| Mol Weight | 425.58 g/mol |
| Molecular Formula | C28H31N3O |
| Exact Mass | 425.246713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FYpcQdKzel |
|---|---|
| Name | rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-5-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.246712629 u |
| Formula | C28H31N3O |
| InChI | InChI=1S/C28H31N3O/c1-20(2)8-7-9-21(3)16-27-25(23-14-12-22(18-29)13-15-23)17-26(31(27)19-28(30)32)24-10-5-4-6-11-24/h4-6,8,10-15,17,21H,7,9,16,19H2,1-3H3,(H2,30,32) |
| InChIKey | JIXZPRLSBJDLJN-UHFFFAOYSA-N |
| Molecular Weight | 425.576 g/mol |
| SMILES | C=1(N(C(=CC1C=1C=CC(C#N)=CC1)C1=CC=CC=C1)CC(=O)N)CC(CCC=C(C)C)C |