| SpectraBase Compound ID | 1OuC6Kfd7cq |
|---|---|
| InChI | InChI=1S/C27H31N3O4/c1-19(2)34-26(33)27(25(29)32,17-20-13-15-21(18-28)16-14-20)30(23-11-7-4-8-12-23)24(31)22-9-5-3-6-10-22/h3,5-6,9-10,13-16,19,23H,4,7-8,11-12,17H2,1-2H3,(H2,29,32)/t27-/m0/s1 |
| InChIKey | YIWWHMLCKUJFTQ-MHZLTWQESA-N |
| Mol Weight | 461.56 g/mol |
| Molecular Formula | C27H31N3O4 |
| Exact Mass | 461.231456 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4tDGv8XXJA |
|---|---|
| Name | N-Benzoyl-4-cyano-N-cyclohexyl-.alpha.-(isopropoxycarbonyl)phenylalaninamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31N3O4 |
| InChI | InChI=1S/C27H31N3O4/c1-19(2)34-26(33)27(25(29)32,17-20-13-15-21(18-28)16-14-20)30(23-11-7-4-8-12-23)24(31)22-9-5-3-6-10-22/h3,5-6,9-10,13-16,19,23H,4,7-8,11-12,17H2,1-2H3,(H2,29,32)/t27-/m0/s1 |
| InChIKey | YIWWHMLCKUJFTQ-MHZLTWQESA-N |
| Molecular Weight | 461.562 g/mol |
| SMILES | NC([C@@](N(C1CCCCC1)C(c1ccccc1)=O)(Cc1ccc(cc1)C#N)C(=O)OC(C)C)=O |
| SPLASH | splash10-0a70-0987000000-f4cc83c6f37997e50c18 |
| Source of Spectrum | F-68-8051-7d |
| Wiley ID | 1717594 |