| SpectraBase Spectrum ID |
1x45RA63Te0 |
| Name |
Barbituric acid, 5-allyl-5-isopropyl-1,3-dimethyl- |
| 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/c1-6-7-12(8(2)3)9(15)13(4)11(17)14(5)10(12)16/h6,8H,1,7H2,2-5H3 |
| InChIKey |
VWSMYPQLKQLMPN-UHFFFAOYSA-N |
| Molecular Weight |
238.287 g/mol |
| SMILES |
C(C=C)C1(C(C)C)C(=O)N(C)C(N(C1=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87029 |
