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2-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]propionic acid
SpectraBase Compound ID JwGkSVmJNbX
InChI InChI=1S/C14H12N2O5S/c1-7(13(19)20)21-9-4-2-8(3-5-9)6-10-11(17)15-14(22)16-12(10)18/h2-7H,1H3,(H,19,20)(H2,15,16,17,18,22)
InChIKey ZHMSCNOLSRNRDR-UHFFFAOYSA-N
Mol Weight 320.32 g/mol
Molecular Formula C14H12N2O5S
Exact Mass 320.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1b3IYVjSPw
Name 2-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]propionic acid
Alternate Name(s) 2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]propanoic acid 2-[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]propanoic acid 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
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Formula C14H12N2O5S
InChI InChI=1S/C14H12N2O5S/c1-7(13(19)20)21-9-4-2-8(3-5-9)6-10-11(17)15-14(22)16-12(10)18/h2-7H,1H3,(H,19,20)(H2,15,16,17,18,22)
InChIKey ZHMSCNOLSRNRDR-UHFFFAOYSA-N
Molecular Weight 320.319 g/mol
SMILES N1C(NC(C(=Cc2ccc(OC(C(=O)O)C)cc2)C1=O)=O)=S
SPLASH splash10-006t-7964000000-ccc67fc315eabc921251
Wiley ID 1444917