For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(2-Methylsulfanyl-4-phenyl-pyrimidin-5-yl)ethanone
SpectraBase Compound ID JaP7Zie00pc
InChI InChI=1S/C13H12N2OS/c1-9(16)11-8-14-13(17-2)15-12(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey CCXFUIOENYBYDS-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C13H12N2OS
Exact Mass 244.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DSOei2pv6TC
Name 1-(2-Methylsulfanyl-4-phenyl-pyrimidin-5-yl)ethanone
CAS Registry Number 126685-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2OS
InChI InChI=1S/C13H12N2OS/c1-9(16)11-8-14-13(17-2)15-12(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey CCXFUIOENYBYDS-UHFFFAOYSA-N
Molecular Weight 244.312 g/mol
SMILES c1(c(nc(nc1)SC)-c1ccccc1)C(=O)C
SPLASH splash10-0006-7490000000-3515ef0ee0a289b2aaa2
Source of Spectrum Y-27-1849-5
Synonyms 1-[2-(methylthio)-4-phenyl-5-pyrimidinyl]ethanone 1-[2-(methylthio)-4-phenyl-pyrimidin-5-yl]ethanone
Wiley ID 1246861