| SpectraBase Spectrum ID |
1nUEfVjIHgl |
| Name |
1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.131742445 u |
| Formula |
C12H18N2O3 |
| InChI |
InChI=1S/C12H18N2O3/c1-9(2)12(17)14-6-4-13(5-7-14)11(16)8-10(3)15/h1,4-8H2,2-3H3 |
| InChIKey |
CKFQIYSINORIFY-UHFFFAOYSA-N |
| Molecular Weight |
238.287 g/mol |
| SMILES |
CC(=O)CC(=O)N1CCN(CC1)C(=O)C(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886703 |
![1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]-](/api/spectrum/1nUEfVjIHgl/structure.png?h=300&w=458 "1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]-")
