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1-ALLYL-2-THIOXOPYRIMIDIN-4(1H,3H)-ONE

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1-ALLYL-2-THIOXOPYRIMIDIN-4(1H,3H)-ONE
SpectraBase Compound ID LdgVyquxNju
InChI InChI=1S/C7H8N2OS/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11)
InChIKey FSHZGWAEDFTEAZ-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C7H8N2OS
Exact Mass 168.035734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1Swk51xfbY
Name 1-ALLYL-2-THIOXOPYRIMIDIN-4(1H,3H)-ONE
Compound Number 26
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8N2OS
InChI InChI=1S/C7H8N2OS/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11)
InChIKey FSHZGWAEDFTEAZ-UHFFFAOYSA-N
Literature Reference Author A.ROBIN,K.JULIENNE,J.C.MESLIN,D.DENIAUD
Literature Reference Citation EUR.J.ORG.CHEM.,634(2006)
Molecular Weight 168.213 g/mol
Sample ID 43112
Solvent DMSO-D6