SpectraBase Spectrum ID |
KDJUNS2IJSi |
Name |
1H-Pyrimidine-2,4-dione, 1-allyl-3-methyl-6-methylamino- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
195.100776669 u |
Formula |
C9H13N3O2 |
InChI |
InChI=1S/C9H13N3O2/c1-4-5-12-7(10-2)6-8(13)11(3)9(12)14/h4,6,10H,1,5H2,2-3H3 |
InChIKey |
QPVLGHKPCXACPD-UHFFFAOYSA-N |
Molecular Weight |
195.222 g/mol |
SMILES |
C1(N(C(NC)=CC(N1C)=O)CC=C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932737 |