| SpectraBase Spectrum ID |
JmdcvKqiear |
| Name |
5,5-Diethyl-1-isobutyl-barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.147392509 u |
| Formula |
C12H20N2O3 |
| InChI |
InChI=1S/C12H20N2O3/c1-5-12(6-2)9(15)13-11(17)14(10(12)16)7-8(3)4/h8H,5-7H2,1-4H3,(H,13,15,17) |
| InChIKey |
NNWXASCUYPYQSM-UHFFFAOYSA-N |
| Molecular Weight |
240.303 g/mol |
| SMILES |
C1(=O)C(C(NC(N1CC(C)C)=O)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971937 |
