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5-Ethyl-1,3-bis(methylthiomethyl)-5-phenyl-2,4,6-pyrimidinetrione

View entire compound with spectra: 1 FTIR

5-Ethyl-1,3-bis(methylthiomethyl)-5-phenyl-2,4,6-pyrimidinetrione
SpectraBase Compound ID GJbDPjMnwOM
InChI InChI=1S/C16H20N2O3S2/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3
InChIKey XVOKCQVRDWDTRD-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C16H20N2O3S2
Exact Mass 352.091535 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4utctXW2ljj
Name 5-Ethyl-1,3-bis(methylthiomethyl)-5-phenyl-2,4,6-pyrimidinetrione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.091534857 u
Formula C16H20N2O3S2
InChI InChI=1S/C16H20N2O3S2/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3
InChIKey XVOKCQVRDWDTRD-UHFFFAOYSA-N
Molecular Weight 352.467 g/mol
SMILES C1(C(N(C(N(C1=O)CSC)=O)CSC)=O)(CC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926551