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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-allyl-1-(methylthiomethyl)-5-isopropyl-
SpectraBase Compound ID 9HlMqEjaffY
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
Mol Weight 270.35 g/mol
Molecular Formula C12H18N2O3S
Exact Mass 270.103814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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