1-{[4-Hydroxy-6-(methoxymethyl)pyrimidin-2-yl]thio}-3,3-dimethylbutan-2-one

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Systematic / IUPAC Name: 2-[(3,3-Dimethyl-2-oxobutyl)sulfanyl]-6-(methoxymethyl)-4(1H)-pyrimidinone

ID: Reference4197

Other Names:

Formula: C12H18N2O3S

Spectral Data

1-{[4-Hydroxy-6-(methoxymethyl)pyrimidin-2-yl]thio}-3,3-dimethylbutan-2-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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/14/2016 1:41:52 PM
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Identificators

InChI InChI=1S/C12H18N2O3S/c1-12(2,3)9(15)7-18-11-13-8(6-17-4)5-10(16)14-11/h5H,6-7H2,1-4H3,(H,13,14,16)
InChI Key LEUUXGQLFCEHFI-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C(=O)CSC1=NC(=O)C=C(N1)COC
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Other Names

In Other Databases

PubChem 2730181
ChemSpider 2012116