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3-Acetyl-5-phenyl-2-methylthio-3,4-dihydropirimidin-4-one
SpectraBase Compound ID 15dBKCxZzw9
InChI InChI=1S/C13H12N2O2S/c1-9(16)15-12(17)11(8-14-13(15)18-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey MHIRSMXTCFVCGV-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C13H12N2O2S
Exact Mass 260.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HexfEh5brDY
Name 3-Acetyl-5-phenyl-2-methylthio-3,4-dihydropirimidin-4-one
Alternate Name(s) 3-Acetyl-5-phenyl-2-methylthio-3,4-dihydropyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S
InChI InChI=1S/C13H12N2O2S/c1-9(16)15-12(17)11(8-14-13(15)18-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey MHIRSMXTCFVCGV-UHFFFAOYSA-N
Molecular Weight 260.311 g/mol
SMILES C1(N(C(=NC=C1c1ccccc1)SC)C(=O)C)=O
SPLASH splash10-014i-0090000000-0ec270402ae5fbb56cba
Source of Spectrum SO-0-698-7
Wiley ID 877664