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Acetic acid, (4-hydroxy-6-methyl-2-pentylsulfanylpyrimidin-5-yl)-
SpectraBase Compound ID 3CR7uQFkfJ
InChI InChI=1S/C12H18N2O3S/c1-3-4-5-6-18-12-13-8(2)9(7-10(15)16)11(17)14-12/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKey VJXGENSXDGAAOA-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C12H18N2O3S
Exact Mass 270.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7akwLwTVtgO
Name Acetic acid, (4-hydroxy-6-methyl-2-pentylsulfanylpyrimidin-5-yl)-
Alternate Name(s) 2-(6-Methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoic acid 2-(6-Methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetic acid 2-[2-(amylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid 2-[6-methyl-4-oxo-2-(pentylthio)-1H-pyrimidin-5-yl]acetic acid
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Formula C12H18N2O3S
InChI InChI=1S/C12H18N2O3S/c1-3-4-5-6-18-12-13-8(2)9(7-10(15)16)11(17)14-12/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKey VJXGENSXDGAAOA-UHFFFAOYSA-N
Molecular Weight 270.347 g/mol
SMILES OC(Cc1c(nc(nc1O)SCCCCC)C)=O
SPLASH splash10-0a4l-9630000000-e718b48356ffab787d30
Wiley ID 1438192