3-[(4-Methylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one

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Systematic / IUPAC Name: (E)-3-(4-Methylpyrimidin-2-yl)sulfanyl-1-phenylprop-2-en-1-one

ID: Reference8586

Other Names: 2-Propen-1-one, 3-[(4-methyl-2-pyrimidinyl)thio]-1-phenyl-, (2E)-;
(2E)-3-(4-Methylpyrimidin-2-ylthio)-1-phenylprop-2-en-1-one

Formula: C14H12N2OS

Spectral Data

3-[(4-Methylpyrimidin-2-yl)thio]-1-phenylprop-2-en-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 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/5/2019 6:52:28 AM
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Identificators

InChI InChI=1S/C14H12N2OS/c1-11-7-9-15-14(16-11)18-10-8-13(17)12-5-3-2-4-6-12/h2-10H,1H3/b10-8+
InChI Key ZMSFZCBOUJTEJG-CSKARUKUSA-N
Canonical SMILES CC1=NC(=NC=C1)SC=CC(=O)C2=CC=CC=C2
CAS
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Other Names 2-Propen-1-one, 3-[(4-methyl-2-pyrimidinyl)thio]-1-phenyl-, (2E)-;
(2E)-3-(4-Methylpyrimidin-2-ylthio)-1-phenylprop-2-en-1-one

In Other Databases

ChemSpider 4653519
PubChem 5716658