| SpectraBase Compound ID | BeC4C0ObQf3 |
|---|---|
| InChI | InChI=1S/C25H27N3O2/c29-24(26-19-11-5-2-6-12-19)23(18-15-16-18)28-21-14-8-7-13-20(21)27-22(25(28)30)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18-19,23H,2,5-6,11-12,15-16H2,(H,26,29) |
| InChIKey | PGQNXSNGCKHBSB-UHFFFAOYSA-N |
| Mol Weight | 401.51 g/mol |
| Molecular Formula | C25H27N3O2 |
| Exact Mass | 401.210327 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KLblS9WN3vh |
|---|---|
| Name | N-Cyclohexyl-2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.210327119 u |
| Formula | C25H27N3O2 |
| InChI | InChI=1S/C25H27N3O2/c29-24(26-19-11-5-2-6-12-19)23(18-15-16-18)28-21-14-8-7-13-20(21)27-22(25(28)30)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18-19,23H,2,5-6,11-12,15-16H2,(H,26,29) |
| InChIKey | PGQNXSNGCKHBSB-UHFFFAOYSA-N |
| Molecular Weight | 401.510 g/mol |
| SMILES | C(=O)(NC1CCCCC1)C(C1CC1)N1C(=O)C(=NC2=C1C=CC=C2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887835 |