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(2,4-Dimethylphenyl) methylsulfoxide
SpectraBase Compound ID 7czEu7SRdBY
InChI InChI=1S/C9H12OS/c1-7-4-5-9(11(3)10)8(2)6-7/h4-6H,1-3H3
InChIKey FCJIAOMKFLCKAZ-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfScbccckO5
Name (2,4-Dimethylphenyl) methylsulfoxide
Appearance Clear liquid
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Exact Mass 168.060886179 u
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-7-4-5-9(11(3)10)8(2)6-7/h4-6H,1-3H3
InChIKey FCJIAOMKFLCKAZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800907
Molecular Weight 168.254 g/mol
Quality 525
Reported Formula C9H12OS
SMILES C1(=C(C=C(C=C1)C)C)S(C)=O
SPLASH splash10-0006-9100000000-1ca7f626b0cfb3b242d9
Source of Spectrum K1-2018-SM76-3(29) (DOI: 10.1002/ejoc.201800907)
Thin-Layer Chromatography 0.16 (SiO2, MeOH/CH2Cl2, 2:98)
Wiley ID 1894259