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Ethyl 3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one-5-carboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethyl 3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one-5-carboxylate
SpectraBase Compound ID DpR3cRSX9vr
InChI InChI=1S/C14H14N2O3S/c1-3-19-13(18)11-9-15-14(20-2)16(12(11)17)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey AUTCLMWASNHFNR-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C14H14N2O3S
Exact Mass 290.072513 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A7GKgnJrgNh
Name Ethyl 3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one-5-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.072513490 u
Formula C14H14N2O3S
InChI InChI=1S/C14H14N2O3S/c1-3-19-13(18)11-9-15-14(20-2)16(12(11)17)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey AUTCLMWASNHFNR-UHFFFAOYSA-N
SMILES C1(N(C(=NC=C1C(=O)OCC)SC)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952607