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2-Mercapto-4-hydroxy-5-(benzyloxy)pyrimidine
SpectraBase Compound ID JFuokLYAfUq
InChI InChI=1S/C11H10N2O2S/c14-10-9(6-12-11(16)13-10)15-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13,14,16)
InChIKey XYJYTCCZTNWCRR-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHkc4vLXg7t
Name 2-Mercapto-4-hydroxy-5-(benzyloxy)pyrimidine
Alternate Name(s) 5-benzoxy-2-thioxo-1H-pyrimidin-4-one 5-benzyloxy-2-thioxo-1H-pyrimidin-4-one 5-phenylmethoxy-2-sulfanylidene-1H-pyrimidin-4-one NSC 95992
CAS Registry Number 63204-39-7
Comments Less than 3 mono-isotopic peaks
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Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c14-10-9(6-12-11(16)13-10)15-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13,14,16)
InChIKey XYJYTCCZTNWCRR-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
SMILES Oc1nc(ncc1OCc1ccccc1)S
SPLASH splash10-0006-9010000000-206d5713bd812901677a
Source of Spectrum Y-26-691-0
Wiley ID 1235606