| SpectraBase Spectrum ID |
Cl6u5xoH2a2 |
| Name |
N,N'-Dimethyl-5-(1-methylbutyl)-5-methoxycarbonylmethyl barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.152871811 u |
| Formula |
C14H22N2O5 |
| InChI |
InChI=1S/C14H22N2O5/c1-6-7-9(2)14(8-10(17)21-5)11(18)15(3)13(20)16(4)12(14)19/h9H,6-8H2,1-5H3 |
| InChIKey |
GMLDOONTKHSEFY-UHFFFAOYSA-N |
| SMILES |
C1(N(C(N(C(C1(C(C)CCC)CC(=O)OC)=O)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8739 |
