| SpectraBase Spectrum ID |
8du8e6OAKrg |
| Name |
2,2-Dimethyl-5-[N-(5'-methyl-2'-oxopyrrolidin-1'-yl)methylene]-1,3-dioxane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.095022582 u |
| Formula |
C12H15NO5 |
| InChI |
InChI=1S/C12H15NO5/c1-7-4-5-9(14)13(7)6-8-10(15)17-12(2,3)18-11(8)16/h6-7H,4-5H2,1-3H3 |
| InChIKey |
IQVKQZFOVANYAG-UHFFFAOYSA-N |
| Molecular Weight |
253.254 g/mol |
| SMILES |
C1(C(OC(C)(C)OC1=O)=O)=CN1C(CCC1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942296 |
![2,2-Dimethyl-5-[N-(5'-methyl-2'-oxopyrrolidin-1'-yl)methylene]-1,3-dioxane-4,6-dione](/api/spectrum/8du8e6OAKrg/structure.png?h=300&w=458 "2,2-Dimethyl-5-[N-(5'-methyl-2'-oxopyrrolidin-1'-yl)methylene]-1,3-dioxane-4,6-dione")
