SpectraBase Spectrum ID |
IjSymgr9W6d |
Name |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-allyl-1-(methylthiomethyl)-5-isopropyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
270.103813619 u |
Formula |
C12H18N2O3S |
InChI |
InChI=1S/C12H18N2O3S/c1-5-6-12(8(2)3)9(15)13-11(17)14(7-18-4)10(12)16/h5,8H,1,6-7H2,2-4H3,(H,13,15,17) |
InChIKey |
DMJXEPLQSWFBEO-UHFFFAOYSA-N |
SMILES |
C1(C(N(C(NC1=O)=O)CSC)=O)(C(C)C)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866761 |