![N-{[3'-Benzoyl-4'-(p-tolylacetylamino)phenyl]-1'-[3"-(biphenyl-4'"-yl)-acryloyl}-pyrrolidine-2-carboxylamide](/api/spectrum/4b6CJSGwkFG/structure.png?h=300&w=458 "N-{[3'-Benzoyl-4'-(p-tolylacetylamino)phenyl]-1'-[3\"-(biphenyl-4'\"-yl)-acryloyl}-pyrrolidine-2-carboxylamide")
| SpectraBase Compound ID | FUWSpJP4ikO |
|---|---|
| InChI | InChI=1S/C42H37N3O4/c1-28-14-16-29(17-15-28)27-39(46)44-37-23-18-30(26-36(37)40(47)34-11-6-3-7-12-34)25-35(41(48)45-42(49)38-13-8-24-43-38)33-21-19-32(20-22-33)31-9-4-2-5-10-31/h2-7,9-12,14-23,25-26,38,43H,8,13,24,27H2,1H3,(H,44,46)(H,45,48,49)/b35-25+ |
| InChIKey | IZPZKHYEMHXPII-KVQDIILNSA-N |
| Mol Weight | 647.8 g/mol |
| Molecular Formula | C42H37N3O4 |
| Exact Mass | 647.278407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4b6CJSGwkFG |
|---|---|
| Name | N-{[3'-Benzoyl-4'-(p-tolylacetylamino)phenyl]-1'-[3"-(biphenyl-4'"-yl)-acryloyl}-pyrrolidine-2-carboxylamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H37N3O4 |
| InChI | InChI=1S/C42H37N3O4/c1-28-14-16-29(17-15-28)27-39(46)44-37-23-18-30(26-36(37)40(47)34-11-6-3-7-12-34)25-35(41(48)45-42(49)38-13-8-24-43-38)33-21-19-32(20-22-33)31-9-4-2-5-10-31/h2-7,9-12,14-23,25-26,38,43H,8,13,24,27H2,1H3,(H,44,46)(H,45,48,49)/b35-25+ |
| InChIKey | IZPZKHYEMHXPII-KVQDIILNSA-N |
| Molecular Weight | 647.775 g/mol |
| SMILES | N(c1c(cc(\C=C\(C(NC(C2NCCC2)=O)=O)c2ccc(cc2)-c2ccccc2)cc1)C(=O)c1ccccc1)C(=O)Cc1ccc(cc1)C |
| SPLASH | splash10-0a4i-0094000000-47d0886b4cb7ebbb581e |
| Source of Spectrum | D9-336-248-8 |
| Wiley ID | 1551065 |