| SpectraBase Spectrum ID |
8h7a7f8Y0mp |
| Name |
2-Benzoyl-5-tert-butyl-3-(4-morpholinyl)-1-cyclopent-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.183443666 u |
| Formula |
C20H25NO3 |
| InChI |
InChI=1S/C20H25NO3/c1-20(2,3)15-13-16(21-9-11-24-12-10-21)17(19(15)23)18(22)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3 |
| InChIKey |
WDNMRABAEGGWGZ-UHFFFAOYSA-N |
| Molecular Weight |
327.424 g/mol |
| SMILES |
C1(=C(CC(C1=O)C(C)(C)C)N1CCOCC1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977703 |
