| SpectraBase Spectrum ID |
YlkCJSnlzx |
| Name |
5-[(1-Tert-butyl-1,2-dihydro-3-oxo-2-phenylpyrrol-4-yl)methylene]-2,2-dimethyl-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 |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-20(2,3)22-12-14(17(23)16(22)13-9-7-6-8-10-13)11-15-18(24)26-21(4,5)27-19(15)25/h6-12,16H,1-5H3 |
| InChIKey |
PBGMTNZONMUGQT-UHFFFAOYSA-N |
| Molecular Weight |
369.417 g/mol |
| SMILES |
C1(=CC2=CN(C(C)(C)C)C(C2=O)C2=CC=CC=C2)C(OC(OC1=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95432 |
![5-[(1-Tert-butyl-1,2-dihydro-3-oxo-2-phenylpyrrol-4-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione](/api/spectrum/YlkCJSnlzx/structure.png?h=300&w=458 "5-[(1-Tert-butyl-1,2-dihydro-3-oxo-2-phenylpyrrol-4-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione")
