1-(3-{[(4-Hydroxypyrimidin-2-yl)thio]methyl}-4-methoxyphenyl)ethan-1-one

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Systematic / IUPAC Name: 2-[(5-Acetyl-2-methoxybenzyl)sulfanyl]-4(3H)-pyrimidinone

ID: Reference4276

Other Names:

Formula: C14H14N2O3S

Spectral Data

1-(3-{[(4-Hydroxypyrimidin-2-yl)thio]methyl}-4-methoxyphenyl)ethan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/18/2016 8:55:39 AM
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Identificators

InChI InChI=1S/C14H14N2O3S/c1-9(17)10-3-4-12(19-2)11(7-10)8-20-14-15-6-5-13(18)16-14/h3-7H,8H2,1-2H3,(H,15,16,18)
InChI Key JQXANOKQUQWMJE-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=CC(=O)N2
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In Other Databases

ChemSpider 2077371
PubChem 2798614