| SpectraBase Spectrum ID |
GhaEfAjXZZJ |
| Name |
Methyl 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohex-2-enyl]-2-methylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-16(2,15(20)21-4)11-7-5-10(6-8-11)12-9-13(18)17(3)14(12)19/h5,7,10-12H,6,8-9H2,1-4H3 |
| InChIKey |
FRYITIWALNCBLB-UHFFFAOYSA-N |
| SMILES |
C1(N(C(CC1C1C=CC(C(C(=O)OC)(C)C)CC1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907619 |
![Methyl 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohex-2-enyl]-2-methylpropionate](/api/spectrum/GhaEfAjXZZJ/structure.png?h=300&w=458 "Methyl 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohex-2-enyl]-2-methylpropionate")
