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3-Allyl-5-(furan-2-carbonyl)-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID 5NwzaKn1IaP
InChI InChI=1S/C13H12N2O3S/c1-3-6-15-12(17)9(8-14-13(15)19-2)11(16)10-5-4-7-18-10/h3-5,7-8H,1,6H2,2H3
InChIKey FVTPWZWYHGEMQR-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtYzq5vPGAn
Name 3-Allyl-5-(furan-2-carbonyl)-2-(methylthio)pyrimidin-4(3H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-3-6-15-12(17)9(8-14-13(15)19-2)11(16)10-5-4-7-18-10/h3-5,7-8H,1,6H2,2H3
InChIKey FVTPWZWYHGEMQR-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 276.310 g/mol
SMILES C(N1C(SC)=NC=C(C(=O)c2occc2)C1=O)C=C
SPLASH splash10-01ow-6690000000-2c49fb44e87571633411
Source of Spectrum U1-2020-5536-6d
Wiley ID 1860934