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2,4,6-Pyrimidinetrione, 5,5-diallyl-1-(methylthiomethyl)-

View entire compound with spectra: 1 FTIR

2,4,6-Pyrimidinetrione, 5,5-diallyl-1-(methylthiomethyl)-
SpectraBase Compound ID 9IpT1ZC0IFo
InChI InChI=1S/C12H16N2O3S/c1-4-6-12(7-5-2)9(15)13-11(17)14(8-18-3)10(12)16/h4-5H,1-2,6-8H2,3H3,(H,13,15,17)
InChIKey MXQROPDFHKUILB-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C12H16N2O3S
Exact Mass 268.088164 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BppDkWd7Q5w
Name 2,4,6-Pyrimidinetrione, 5,5-diallyl-1-(methylthiomethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.088163554 u
Formula C12H16N2O3S
InChI InChI=1S/C12H16N2O3S/c1-4-6-12(7-5-2)9(15)13-11(17)14(8-18-3)10(12)16/h4-5H,1-2,6-8H2,3H3,(H,13,15,17)
InChIKey MXQROPDFHKUILB-UHFFFAOYSA-N
SMILES C1(C(N(C(NC1=O)=O)CSC)=O)(CC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917707